SCHEMBL1072701

SCHEMBL1072701

CC(C(=O)c1ccccc1)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.69
▸ SLC6A3 Q01959 7/20 0.69
▸ CHRNB4 P30926 6/20 0.69
▸ CHRNA3 P32297 6/20 0.69
▸ CHRNB2 P17787 5/20 0.69
▸ CHRNA4 P43681 5/20 0.69
▸ CHRNA1 P02708 4/20 0.69
▸ CHRNG P07510 4/20 0.69
▸ CHRNB1 P11230 4/20 0.69
▸ CHRND Q07001 4/20 0.69
▸ ALDH1A1 P00352 5/20 0.68
▸ GAA P10253 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ SLC6A4 P31645 1/20 0.68
▸ KMT2A Q03164 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MAOB P27338 1/20 0.58

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
Hydrochloric Acid SCHEMBL10728832 0.98 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Bromide SCHEMBL13729160 0.98 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL28360223 0.98 SLC6A2 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL11037118 0.98 SLC6A2 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL22614730 0.96 SLC6A2 (0.65) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL28057449 0.96 SLC6A2 (0.65) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL6811754 0.84 ALDH1A1 (0.61) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL1714913 0.83 SLC6A2 (0.50) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL4869220 0.83 OPRD1 (0.53) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL9360364 0.83 SLC6A3 (0.60) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2

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
CN-117486831-A Preparation method of phenyllansoprazole impurity 1, 5-diphenyl-2- (piperidine-1-methyl) -1, 5-pentanedione hydrochloride 湖南中南制药有限责任公司 2024-02-02 — — CN claimed
JP-56043266-A — — None — — JP disclosed
JP-58216156-A — — None — — JP disclosed
CN-117486831-A Preparation method of phenyllansoprazole impurity 1, 5-diphenyl-2- (piperidine-1-methyl) -1, 5-pentanedione hydrochloride 湖南中南制药有限责任公司 2024-02-02 — — CN disclosed
CN-117486831-A Preparation method of phenyllansoprazole impurity 1, 5-diphenyl-2- (piperidine-1-methyl) -1, 5-pentanedione hydrochloride 湖南中南制药有限责任公司 2024-02-02 — — CN disclosed
EP-2271645-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-12 — — EP disclosed
WO-2009126514-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-10-15 — — WO disclosed
EP-1383752-A2 DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS Turicum Drug Development AG (CH) 2004-01-28 — — EP disclosed
WO-2002088100-A2 DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS TURICUM DRUG DEVELOPMENT AG (CH) 2002-11-07 — — WO disclosed
JP-S58216156-A PRODUCTION OF PIPERIDINOPROPANOL DERIVATIVE IWAKI SEIYAKU KK 1983-12-15 — — JP disclosed
US-4361573-A α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them TEMMLER AG (CH) 1982-11-30 — — US disclosed
JP-S5643266-A PRODUCTION OF PIPERIDINOPROPANOL DERIVATIVE IWAKI SEIYAKU KK 1981-04-21 — — JP disclosed
US-4025633-A DIURETICS, SALURETICS FIRMA TEMMLER A.G. (CH) 1977-05-24 — — US disclosed
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