SCHEMBL8963744

SCHEMBL8963744

Cc1[nH]c(-c2ccccc2)nc1CN1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.71
DRD4 P21917 1/20 0.71
DRD3 P35462 1/20 0.71
GRIN2B Q13224 1/20 0.55
CTSS P25774 14/20 0.48
MC4R P32245 1/20 0.47
CHKA P35790 1/20 0.46
HRH4 Q9H3N8 1/20 0.45

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
SCHEMBL8964019 0.89 DRD2 (0.71) DRD2DRD4DRD3CTSSMC4R
Hydrochloric Acid SCHEMBL10644520 0.88 DRD2 (0.56) DRD2DRD4DRD3GRIN2BCTSS
SCHEMBL8963668 0.83 DRD2 (0.64) DRD2DRD4DRD3CTSS
SCHEMBL8834289 0.83 DRD4 (1.00) DRD2DRD4DRD3CTSS
SCHEMBL8963868 0.83 DRD2 (0.63) DRD2DRD4DRD3CTSS
SCHEMBL9720664 0.82 DRD2 (0.62) DRD2DRD4DRD3CTSS
Hydrochloric Acid SCHEMBL8963938 0.81 DRD2 (0.58) DRD2DRD4DRD3GRIN2BCTSS
SCHEMBL9725056 0.81 DRD4 (0.67) DRD2DRD4DRD3CTSS
SCHEMBL6861390 0.80 DRD2 (0.60) DRD2DRD4DRD3GRIN2BCTSS
SCHEMBL8963974 0.80 DRD3 (0.59) DRD2DRD4DRD3CTSS

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 8 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
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