SCHEMBL7101378

SCHEMBL7101378

Clc1ccc(C(c2ccncc2)N2CCNCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.81
CYP2D6 P10635 2/20 0.81
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
OPRD1 P41143 7/20 0.53
OPRM1 P35372 1/20 0.53
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
SLC6A4 P31645 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
BCL2 P10415 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 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
SCHEMBL1137956 0.90 CYP2D6 (1.00) CYP19A1CYP2D6MEN1KMT2AOPRD1
SCHEMBL3432555 0.88 MEN1 (0.63) CYP19A1CYP2D6MEN1KMT2AOPRD1
Norchlorcyclizine SCHEMBL7139140 0.84 CYP2D6 (0.81) CYP19A1CYP2D6MEN1KMT2AOPRD1
SCHEMBL11193886 0.84 CYP2D6 (0.56) CYP19A1CYP2D6MEN1KMT2AOPRD1
Norchlorcyclizine SCHEMBL588655 0.83 CYP2D6 (0.86) CYP19A1CYP2D6MEN1KMT2AOPRD1
Norchlorcyclizine SCHEMBL6556514 0.83 CYP2D6 (0.86) CYP19A1CYP2D6MEN1KMT2AOPRD1
Norchlorcyclizine SCHEMBL467086 0.83 CYP2D6 (0.86) CYP19A1CYP2D6MEN1KMT2AOPRD1
SCHEMBL5549076 0.83 MEN1 (0.79) CYP19A1CYP2D6MEN1KMT2AOPRD1
Norchlorcyclizine SCHEMBL588155 0.82 CYP2D6 (0.83) CYP19A1CYP2D6MEN1KMT2AOPRD1
Norchlorcyclizine SCHEMBL4649874 0.82 CYP2D6 (0.83) CYP19A1CYP2D6MEN1KMT2AOPRD1

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 3 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