SCHEMBL8964017

SCHEMBL8964017

CC(=O)c1nc(-c2cccc(C)c2)[nH]c1C

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.78
SLC9A1 P19634 6/20 0.62
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.47
PBRM1 Q86U86 1/20 0.46
NR1I3 Q14994 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
NPBWR1 P48145 1/20 0.44

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
SCHEMBL30272215 0.88 PIN1 (1.00) PIN1SLC9A1NPC1RAB9AKDM4E
SCHEMBL24514330 0.87 PIN1 (0.63) PIN1SLC9A1NPC1RAB9APBRM1
SCHEMBL8964121 0.85 PIN1 (0.80) PIN1SLC9A1
SCHEMBL5918226 0.84 PIN1 (0.78) PIN1SLC9A1MAPTKDM4E
SCHEMBL8964054 0.83 PIN1 (0.63) PIN1SLC9A1MAPTKDM4EALDH1A1
SCHEMBL8963628 0.83 PIN1 (0.81) PIN1SLC9A1NR1I3KDM4EALDH1A1
SCHEMBL8963720 0.83 PIN1 (0.71) PIN1SLC9A1NPC1RAB9APBRM1
SCHEMBL10679369 0.78 PIN1 (0.55) PIN1MAPTKDM4EALDH1A1HPGD
SCHEMBL28460536 0.77 PIN1 (0.62) PIN1SLC9A1NPC1RAB9AMAPT
SCHEMBL11478829 0.77 PIN1 (0.62) PIN1SLC9A1NPC1RAB9APBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed
US-5276034-A Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents SYNTEX PHARMACEUTICAL LTD. (GB) 1994-01-04 US disclosed
US-5252736-A Calcium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1993-10-12 US disclosed
EP-0289227-B1 SUBSTITUTED IMIDAZOLYL-ALKYL-PIPERAZINE AND -DIAZEPINE DERIVATIVES SYNTEX PHARMACEUTICALS LTD. (GB) 1992-04-08 EP disclosed
US-5091428-A Calcium channel blockers preferential for cerebral blood vessels SYNTEX PHARMACEUTICALS, LTD. (BM) 1992-02-25 US disclosed
US-5043447-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1991-08-27 US disclosed
US-5010075-A Antiepilepic, hypotensive, antiarrhythmia, antiischemic agent SYNTEX PHARMACEUTICALS LTD. (GB) 1991-04-23 US disclosed
US-4935417-A CALCIUM CHANNEL BLOCKERS SYNTEX PHARMACEUTICALS LTD. (BM) 1990-06-19 US disclosed
US-4829065-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1989-05-09 US disclosed
EP-0289227-A1 Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS LTD. (GB) 1988-11-02 EP disclosed