SCHEMBL9252838

SCHEMBL9252838

Cc1ccccc1C(c1ccccc1)N1CC[N]CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.59
OPRD1 P41143 10/20 0.59
OPRK1 P41145 10/20 0.59
OPRL1 P41146 10/20 0.59
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 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
SCHEMBL9257134 0.94 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL9258176 0.90 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL9247567 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1ADRA2A
SCHEMBL42119 0.82 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL9251264 0.81 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL9256147 0.81 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL9254374 0.81 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CHRM2
Hydrochloric Acid SCHEMBL31635746 0.81 OPRM1 (0.69) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL9252844 0.80 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL11369525 0.78 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CHRM2

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