SCHEMBL7804696

SCHEMBL7804696

CCN1CCCCCC(Br)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.36
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
INMT O95050 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL11604283 0.92 INMT (0.38) L3MBTL1GAACHRM2CHRM4CHRM5
SCHEMBL2083375 0.84
SCHEMBL28355124 0.80 PER2 (0.42) L3MBTL1GAAOPRM1OPRL1GSK3A
SCHEMBL9319719 0.78 GBA1 (0.43) CHRM3ALDH1A1
SCHEMBL7804695 0.78 L3MBTL1 (0.39) L3MBTL1GAAOPRM1OPRL1GSK3A
SCHEMBL11605185 0.78 FKBP1A (0.35) ALDH1A1
SCHEMBL8476666 0.78 ALDH1A1 (0.40) L3MBTL1GAAOPRM1OPRL1GSK3A
SCHEMBL1527371 0.76 CYP3A4 (0.39) L3MBTL1GAACHRM2CHRM4CHRM5
SCHEMBL14025940 0.76 PER2 (0.40) L3MBTL1GAACHRM2CHRM4CHRM5
SCHEMBL1527372 0.76 CYP3A4 (0.39) L3MBTL1GAACHRM2CHRM4CHRM5

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-0794184-B1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2001-05-30 EP disclosed
US-5932568-A GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-08-03 US disclosed
EP-0794184-A1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-09-10 EP disclosed