Sugi Predict

Sugi Predict / Compounds / SCHEMBL3718795

SCHEMBL3718795

SCHEMBL3718795

COc1ccc(CC(C#N)C2(O)CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.48
▸ SLC6A4 P31645 6/20 0.48
▸ SLC6A3 Q01959 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ LDHA P00338 1/20 0.42
▸ DPP4 P27487 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL4991324 0.79 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL4407969 0.78 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL6234608 0.76 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3LMNACNR1
3-Methoxyphenylacetonitrile SCHEMBL3712618 0.76 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL1671921 0.75 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9748053 0.75 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL27955989 0.74 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL28458809 0.72 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8417607 0.71 LDHA (0.53) SLC6A4LDHADPP4FAPDPP8
SCHEMBL1443223 0.70 SLC6A4 (0.55) SLC6A4TSHRGAALDHACYP1A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100520-A1 A PROCESS FOR PREPARATION OF PHENETHYLAMINE DERIVATIVE HIKAL LIMITED (IN) 2010-09-10 — — WO claimed
EP-1671944-A1 Method of preparing 1-(cyano(p-methoxyphenyl)ethyl)cyclohexanol SK Corporation (KR) 2006-06-21 — — EP claimed
CN-108752235-B Method for preparing drug intermediate by hydrotalcite material catalysis 武汉普元药业有限责任公司 2020-11-10 — — CN disclosed
CN-108752235-B Method for preparing drug intermediate by hydrotalcite material catalysis 武汉普元药业有限责任公司 2020-11-10 — — CN disclosed
WO-2010100520-A1 A PROCESS FOR PREPARATION OF PHENETHYLAMINE DERIVATIVE HIKAL LIMITED (IN) 2010-09-10 — — WO disclosed
EP-2043999-A2 A PROCESS FOR THE PREPARATION OF VENLAFAXINE HYDROCHLORIDE Aarti Healthcare Limited (IN) 2009-04-08 — — EP disclosed
WO-2007069277-A3 A PROCESS FOR THE PREPARATION OF VENLAFAXINE HYDROCHLORIDE AARTI HEALTHCARE LTD (IN) 2007-07-26 — — WO disclosed
WO-2007069277-A2 A PROCESS FOR THE PREPARATION OF VENLAFAXINE HYDROCHLORIDE AARTI HEALTHCARE LIMITED (IN) 2007-06-21 — — WO disclosed
JP-2006169241-A METHOD FOR PRODUCING 1-[CYANO(p-METHOXYPHENYL)ETHYL]CYCLOHEXANOL SK CORP 2006-06-29 — — JP disclosed
EP-1671944-A1 Method of preparing 1-(cyano(p-methoxyphenyl)ethyl)cyclohexanol SK Corporation (KR) 2006-06-21 — — EP disclosed
EP-1671944-A1 Method of preparing 1-(cyano(p-methoxyphenyl)ethyl)cyclohexanol SK Corporation (KR) 2006-06-21 — — EP disclosed
EP-1671944-A1 Method of preparing 1-(cyano(p-methoxyphenyl)ethyl)cyclohexanol SK Corporation (KR) 2006-06-21 — — EP disclosed
WO-2006035457-A1 A PROCESS FOR THE MANUFACTURE OF VENLAFAXINE AND INTERMEDIATES THEREOF AMOLI ORGANICS LTD. (IN) 2006-04-06 — — WO disclosed