SCHEMBL8963477

SCHEMBL8963477

CCCCc1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
CNR1 P21554 2/20 0.43
HRH1 P35367 2/20 0.43
OPRK1 P41145 2/20 0.43
KCNH2 Q12809 2/20 0.43
GHSR Q92847 2/20 0.43
OPRM1 P35372 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPN P05981 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL8963684 0.82 CYP3A4 (0.49) MAPTCYP3A4CYP2C19CYP2C9ADORA3
SCHEMBL8963668 0.79 DRD2 (0.64) MAPTCYP3A4CYP2C19CYP2C9ADORA3
SCHEMBL8963705 0.78 LMNA (0.52) MAPTCYP3A4CYP2C19CYP2C9ADORA3
SCHEMBL8963453 0.78 CYP3A4 (0.52) MAPTCYP3A4CYP2C19CYP2C9ADORA3
SCHEMBL8963605 0.77 CYP3A4 (0.45) MAPTCYP3A4CYP2C19CYP2C9ADORA3
SCHEMBL8963541 0.76 DRD2 (0.49) MAPTCYP3A4CYP2C19CYP2C9ADORA3
Lifarizine SCHEMBL676318 0.76 DRD2 (0.57) MAPTCYP3A4CYP2C19CYP2C9ADORA3
SCHEMBL8963644 0.76 DRD3 (0.56) CYP3A4CYP2C19CYP2C9ADORA3CNR1
Lifarizine SCHEMBL8963776 0.76 DRD2 (0.56) MAPTCYP3A4CYP2C19CYP2C9ADORA3
SCHEMBL8963948 0.75 DRD3 (0.47) MAPTCYP3A4CYP2C19CYP2C9ADORA3

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