SCHEMBL8964201

SCHEMBL8964201

Cc1[nH]c(-c2ccccc2)nc1CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.55
DRD2 P14416 4/20 0.55
DRD4 P21917 4/20 0.55
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
MAPK1 P28482 3/20 0.47
MTOR P42345 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 2/20 0.47
FAAH O00519 1/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
BLM P54132 3/20 0.46
PMP22 Q01453 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KCNH2 Q12809 7/20 0.46
HTR2A P28223 5/20 0.46
ADRA1A P35348 5/20 0.46
HRH1 P35367 5/20 0.46

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
SCHEMBL8963457 0.88 DRD2 (0.54) DRD3DRD2DRD4CTSSSIGMAR1
SCHEMBL8963744 0.79 DRD2 (0.71) DRD3DRD2DRD4MC4RHRH4
SCHEMBL9424561 0.77 DRD2 (0.49) DRD3DRD2DRD4KCNH2MAPT
SCHEMBL8964019 0.76 DRD2 (0.71) DRD3DRD2DRD4CYP2D6MAPK1
SCHEMBL8963668 0.76 DRD2 (0.64) DRD3DRD2DRD4CYP3A4CYP2D6
SCHEMBL8963624 0.76 DRD2 (0.47) DRD3DRD2DRD4CYP3A4MEN1
SCHEMBL8963974 0.74 DRD3 (0.59) DRD3DRD2DRD4CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8963609 0.74 SIGMAR1 (0.44) DRD3DRD2DRD4CYP2D6SIGMAR1
SCHEMBL8963961 0.74 DRD2 (0.58) DRD3DRD2DRD4CYP3A4CYP2C9
SCHEMBL8964198 0.74 DRD2 (0.53) DRD3DRD2DRD4CTSS

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