SCHEMBL6544386

SCHEMBL6544386

COc1ccc(CC(=O)NCCC2=CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 1.00
▸ HPGD P15428 3/20 0.73
▸ NPC1 O15118 4/20 0.72
▸ RAB9A P51151 4/20 0.72
▸ SMN1; SMN2 Q16637 4/20 0.72
▸ GAA P10253 1/20 0.69
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ MAPT P10636 2/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ TSHR P16473 1/20 0.63
▸ LMNA P02545 2/20 0.60
▸ ATM Q13315 1/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ PKM P14618 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28375511 0.86 ALDH1A1 (0.78) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11366660 0.85 ALDH1A1 (0.81) ALDH1A1HPGDMEN1KMT2ACYP2C9
SCHEMBL23023152 0.78 ALDH1A1 (0.63) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8691052 0.76 MAPT (0.76) ALDH1A1HPGDNPC1RAB9AGAA
SCHEMBL3208992 0.76 NPC1 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23495259 0.75 ALDH1A1 (0.59) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13723908 0.75 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL8201411 0.75 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL10568721 0.75 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL3456825 0.75 RAB9A (1.00) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143621-A Method for preparing N- (2- (cyclohex-1-en-1-yl) ethyl) -2-p-methoxyphenyl acetamide 江苏恩华药业股份有限公司 2024-12-17 — — CN claimed
CN-110483395-B Purification method for salifying 1- (4-methoxybenzyl) -3,4,5,6,7, 8-hexahydroisoquinoline 启东东岳药业有限公司 2021-03-23 — — CN claimed
EP-0834505-B1 Process for the preparation of (Z)-1-[1-(4-Methoxybenzylidene)-1,2,3,4,5,6,7,8-octahydro-isoquinolin-2-yl]alkanones HOFFMANN LA ROCHE (CH) 2004-01-07 — — EP claimed
EP-0839135-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 1-(P-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE HOFFMANN LA ROCHE (CH) 2001-10-10 — — EP claimed
US-5892044-A ASYMMETRICALLY HYDROGENATING 1-(P-METHOXYBENZYL)-3,4,5,6,7,8-HEXAHYDROISOQUINOLINE OR SALT THEREOF IN PRESENCE OF CATALYTICALLY EFFECTIVE OPTICALLY ACTIVE IRIDIUM-PHOSPHINE COMPLEX LONZA LTD. (CH) 1999-04-06 — — US claimed
US-5849917-A Process for the preparation of isoquinoline compounds ROCHE VITAMINS INC. (US) 1998-12-15 — — US claimed
EP-0839135-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 1-(P-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE LONZA AG (CH) 1998-05-06 — — EP claimed
EP-0834505-A1 Process for the preparation of (Z)-1-[1-(4-Methoxybenzylidene)-1,2,3,4,5,6,7,8-octahydro-isoquinolin-2-yl]alkanones F. HOFFMANN-LA ROCHE AG (CH) 1998-04-08 — — EP claimed
WO-1997003052-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 1-(P-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE LONZA AG (CH) 1997-01-30 — — WO claimed
US-4496762-A Process for the preparation of N-(2-(cyclo-hexen-1-yl)ethyl)-4-methoxybenzeneacetamide EASTMAN KODAK COMPANY (US) 1985-01-29 — — US claimed
JP-10114775-A — — None — — JP disclosed
CN-119143621-B Method for preparing N- (2- (cyclohex-1-en-1-yl) ethyl) -2-p-methoxyphenyl acetamide 江苏恩华药业股份有限公司 2026-03-24 — — CN disclosed
CN-119143621-A Method for preparing N- (2- (cyclohex-1-en-1-yl) ethyl) -2-p-methoxyphenyl acetamide 江苏恩华药业股份有限公司 2024-12-17 — — CN disclosed
CN-119143621-A Method for preparing N- (2- (cyclohex-1-en-1-yl) ethyl) -2-p-methoxyphenyl acetamide 江苏恩华药业股份有限公司 2024-12-17 — — CN disclosed
CN-110483395-B Purification method for salifying 1- (4-methoxybenzyl) -3,4,5,6,7, 8-hexahydroisoquinoline 启东东岳药业有限公司 2021-03-23 — — CN disclosed
EP-0834505-A1 Process for the preparation of (Z)-1-[1-(4-Methoxybenzylidene)-1,2,3,4,5,6,7,8-octahydro-isoquinolin-2-yl]alkanones F. HOFFMANN-LA ROCHE AG (CH) 1998-04-08 — — EP disclosed
EP-0834505-A1 Process for the preparation of (Z)-1-[1-(4-Methoxybenzylidene)-1,2,3,4,5,6,7,8-octahydro-isoquinolin-2-yl]alkanones F. HOFFMANN-LA ROCHE AG (CH) 1998-04-08 — — EP disclosed
CN-1178218-A Process for production of (Z)-1-[1-(4-methoxybenzylidene)-1,2,3,4,5,6,7,8-octahydro-isoquinolin-2-yl] alkanones of general formula HOFFMANN LA ROCHE (CH) 1998-04-08 — — CN disclosed
US-4496762-A Process for the preparation of N-(2-(cyclo-hexen-1-yl)ethyl)-4-methoxybenzeneacetamide EASTMAN KODAK COMPANY (US) 1985-01-29 — — US disclosed
US-4496762-A Process for the preparation of N-(2-(cyclo-hexen-1-yl)ethyl)-4-methoxybenzeneacetamide EASTMAN KODAK COMPANY (US) 1985-01-29 — — US disclosed
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