SCHEMBL9251264

SCHEMBL9251264

COc1ccccc1C(c1ccccc1)N1CC[N]CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.61
OPRD1 P41143 5/20 0.61
OPRK1 P41145 5/20 0.61
OPRL1 P41146 5/20 0.61
CYP19A1 P11511 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD1 P21728 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL9258410 0.94 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL9257361 0.91 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL9252838 0.81 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL9251268 0.80 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL42119 0.80 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL9254374 0.78 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9256147 0.78 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL9257134 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL8672898 0.76 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL2201461 0.75 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1MEN1

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