SCHEMBL9252844

SCHEMBL9252844

Cc1ccc(C(c2ccccc2)N2CC[N]CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.57
OPRD1 P41143 7/20 0.57
OPRK1 P41145 7/20 0.57
OPRL1 P41146 7/20 0.57
CACNA2D1 P54289 1/20 0.54
CACNA1B Q00975 1/20 0.54
CACNB1 Q02641 1/20 0.54
CACNA1C Q13936 1/20 0.54
CHRM2 P08172 3/20 0.53
ADRA2A P08913 3/20 0.53
CHRM1 P11229 3/20 0.53
DRD1 P21728 3/20 0.53
DRD3 P35462 3/20 0.53
SLC6A3 Q01959 3/20 0.53
KCNH2 Q12809 3/20 0.53
CYP2D6 P10635 3/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM3 P20309 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
SCHEMBL9258184 0.93 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL42119 0.89 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL9256149 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL1381608 0.83 DRD3 (0.66) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL9250178 0.82 KCNH2 (0.52) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL9251268 0.82 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CACNA2D1
Bromide SCHEMBL4039565 0.81 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL9252838 0.80 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL1742164 0.79 MEN1 (0.79) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL11354393 0.76 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed