SCHEMBL8964054

SCHEMBL8964054

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.63
SLC9A1 P19634 7/20 0.48
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
KIF11 P52732 1/20 0.41
HCRTR1 O43613 1/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40

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
SCHEMBL8963973 0.85 PIN1 (0.58) PIN1SLC9A1RXRARXRBKDM4E
SCHEMBL8964017 0.83 PIN1 (0.78) PIN1SLC9A1MAPTKDM4EALDH1A1
SCHEMBL8963852 0.83 PIN1 (0.53) PIN1SLC9A1MAPTKDM4EALDH1A1
SCHEMBL8964121 0.81 PIN1 (0.80) PIN1SLC9A1
SCHEMBL5918226 0.79 PIN1 (0.78) PIN1SLC9A1MAPTKDM4E
SCHEMBL8963628 0.78 PIN1 (0.81) PIN1SLC9A1KDM4EALDH1A1HCRTR1
SCHEMBL8963795 0.77 PIN1 (0.48) PIN1SLC9A1RXRARXRBMAPT
SCHEMBL8964049 0.74 PIN1 (0.45) PIN1SLC9A1RXRARXRBKDM4E
SCHEMBL10679369 0.73 PIN1 (0.55) PIN1MAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8963809 0.73 PIN1 (0.44) PIN1SLC9A1RXRARXRBKDM4E

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