SCHEMBL8963998

SCHEMBL8963998

CC(=O)c1nc(-c2ccccc2C)[nH]c1C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.66
PIN1 Q13526 2/20 0.51
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.42
IKBKB O14920 1/20 0.42
MAPT P10636 1/20 0.42
NPBWR1 P48145 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
SCHEMBL8963790 0.84 SLC9A1 (0.62) SLC9A1PIN1NPC1ALDH1A1HTT
SCHEMBL8963633 0.82 SLC9A1 (0.60) SLC9A1PIN1NPC1ALDH1A1HPGD
SCHEMBL8963614 0.82 L3MBTL1 (0.68) SLC9A1PIN1L3MBTL1DCUN1D1IKBKB
SCHEMBL8963796 0.82 SLC9A1 (0.50) SLC9A1NPC1ALDH1A1HPGDHTT
SCHEMBL8964129 0.82 SLC9A1 (0.47) SLC9A1PIN1L3MBTL1MAPT
SCHEMBL10674903 0.80 SLC9A1 (0.45) SLC9A1PIN1L3MBTL1
SCHEMBL5918226 0.80 PIN1 (0.78) SLC9A1PIN1NPSR1MAPT
SCHEMBL215767 0.75 SLC9A1 (0.59) SLC9A1PIN1NPC1ALDH1A1HPGD
SCHEMBL10679715 0.75 OPRK1 (0.54) PIN1NPC1ALDH1A1HPGDHTT
SCHEMBL5274965 0.74 NPC1 (0.56) SLC9A1NPC1ALDH1A1HPGDHTT

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