SCHEMBL8964129

SCHEMBL8964129

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.47
PIN1 Q13526 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.39
PARP1 P09874 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL8963724 0.84 SLC9A1 (0.43) SLC9A1PIN1L3MBTL1PARP1TRPA1
SCHEMBL8963998 0.82 SLC9A1 (0.66) SLC9A1PIN1L3MBTL1MAPT
SCHEMBL8963790 0.79 SLC9A1 (0.62) SLC9A1PIN1L3MBTL1MAPTPARP1
SCHEMBL8963614 0.77 L3MBTL1 (0.68) SLC9A1PIN1L3MBTL1PARP1
SCHEMBL5403861 0.76 PIN1 (0.60) SLC9A1PIN1PARP1
SCHEMBL8963777 0.75 TRPA1 (0.36) SLC9A1PIN1L3MBTL1MAPTPARP1
SCHEMBL5918226 0.75 PIN1 (0.78) SLC9A1PIN1MAPT
SCHEMBL8963852 0.74 PIN1 (0.53) SLC9A1PIN1MAPTPARP1
SCHEMBL8963907 0.72 TRPA1 (0.34) SLC9A1PIN1L3MBTL1MAPTPARP1
SCHEMBL8964054 0.72 PIN1 (0.63) SLC9A1PIN1MAPT

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