SCHEMBL6025516

SCHEMBL6025516

CN[C@@H]1CCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.48
OPRK1 P41145 11/20 0.48
OPRL1 P41146 11/20 0.48
OPRD1 P41143 10/20 0.48
CYP2D6 P10635 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL29046178 0.90 OPRM1 (0.42) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL9792723 0.76 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL13163119 0.76 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL21787342 0.76 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL11479004 0.75 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL9684657 0.75 OPRM1 (0.45) OPRM1OPRK1OPRL1OPRD1KMT2A
SCHEMBL5368864 0.72 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL11461772 0.71 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1CYP2D6
Methane SCHEMBL11728059 0.70 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL9359382 0.70 OPRD1 (0.46) OPRM1OPRK1OPRL1OPRD1CYP2D6

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
EP-1638570-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2006-03-29 EP disclosed
WO-2004110453-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-12-23 WO disclosed