SCHEMBL7101455

SCHEMBL7101455

Clc1cccc(C(c2cccc(Cl)c2)N2CCNCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.64
CYP19A1 P11511 1/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
SLC6A4 P31645 8/20 0.57
SLC6A2 P23975 6/20 0.57
OPRD1 P41143 4/20 0.54
OPRM1 P35372 2/20 0.54
OPRK1 P41145 2/20 0.54
OPRL1 P41146 2/20 0.54
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADRB1 P08588 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL7098971 0.95 MEN1 (0.72) CYP2D6CYP19A1MEN1KMT2ASLC6A4
SCHEMBL11203267 0.87 HTT (0.59) CYP2D6CYP19A1MEN1KMT2ASLC6A4
SCHEMBL1741576 0.83 MEN1 (0.74) CYP2D6CYP19A1MEN1KMT2ASLC6A4
SCHEMBL4638996 0.80 SLC6A4 (0.51) CYP2D6CYP19A1MEN1KMT2ASLC6A4
Norchlorcyclizine SCHEMBL588655 0.79 CYP2D6 (0.86) CYP2D6CYP19A1MEN1KMT2ASLC6A4
SCHEMBL12065134 0.79 MEN1 (0.62) CYP2D6CYP19A1MEN1KMT2ASLC6A4
SCHEMBL8963506 0.79 MEN1 (0.62) CYP2D6CYP19A1MEN1KMT2AOPRD1
Norchlorcyclizine SCHEMBL467086 0.79 CYP2D6 (0.86) CYP2D6CYP19A1MEN1KMT2ASLC6A4
Norchlorcyclizine SCHEMBL6556514 0.79 CYP2D6 (0.86) CYP2D6CYP19A1MEN1KMT2ASLC6A4
SCHEMBL1137956 0.78 CYP2D6 (1.00) CYP2D6CYP19A1MEN1KMT2ASLC6A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020443-B1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF AZWELL INC (JP) 2003-09-10 EP disclosed
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 US disclosed
EP-1020443-A1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF Azwell Inc. (JP) 2000-07-19 EP disclosed
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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 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