SCHEMBL8963720

SCHEMBL8963720

Cc1cccc(-c2nc(C(=O)CBr)c(C)[nH]2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.71
SLC9A1 P19634 6/20 0.57
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRK6 P43250 1/20 0.43
PBRM1 Q86U86 1/20 0.42
NR1I3 Q14994 1/20 0.42
HCRTR1 O43613 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8963769 0.87 PIN1 (0.72) PIN1SLC9A1
SCHEMBL8963968 0.86 PIN1 (0.69) PIN1SLC9A1KDM4E
SCHEMBL8963666 0.85 PIN1 (0.73) PIN1SLC9A1GRK6NR1I3HCRTR1
SCHEMBL8963973 0.85 PIN1 (0.58) PIN1SLC9A1HCRTR1KDM4EALDH1A1
SCHEMBL8964017 0.83 PIN1 (0.78) PIN1SLC9A1NPC1RAB9APBRM1
SCHEMBL30272215 0.83 PIN1 (1.00) PIN1SLC9A1NPC1RAB9AGRK6
SCHEMBL10679043 0.80 PIN1 (0.50) PIN1HCRTR1KDM4EALDH1A1HPGD
SCHEMBL8963571 0.78 PIN1 (0.50) PIN1SLC9A1KDM4EALDH1A1PKM
SCHEMBL8964001 0.76 PIN1 (0.51) PIN1SLC9A1NPC1RAB9AHCRTR1
SCHEMBL8963842 0.76 PIN1 (0.48) PIN1SLC9A1NPC1RAB9AKDM4E

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