SCHEMBL8963708

SCHEMBL8963708

Cc1[nH]c(-c2ccccc2)nc1C(C(C)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.42
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD1 P21728 2/20 0.42
OPRM1 P35372 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
Hydrochloric Acid SCHEMBL8964145 0.99 CYP2D6 (0.41) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL8963700 0.93 CYP2C19 (0.41) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL9424211 0.92 CYP2D6 (0.50) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL8963615 0.91 CYP2D6 (0.48) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL8963714 0.91 LMNA (0.39) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL8963435 0.91 CYP2D6 (0.48) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL8963747 0.90 DPP4 (0.45) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL8963766 0.90 OPRM1 (0.42) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL8963981 0.89 MAOA (0.43) DRD3CHRM2ADRA2ACHRM1DRD1
Hydrochloric Acid SCHEMBL8963739 0.89 SMN1; SMN2 (0.43) OPRM1CYP2D6LMNAHTTCYP2C9

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