SCHEMBL25429321

SCHEMBL25429321

CCOC1(OCC)CCN(C(C)c2ccccc2)[C@H](CO)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.39
OPRK1 P41145 7/20 0.39
OPRM1 P35372 6/20 0.39
OPRL1 P41146 6/20 0.39
CYP2D6 P10635 1/20 0.36
HSD11B1 P28845 2/20 0.35
KCNA3 P22001 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
MC4R P32245 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5772785 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL4303393 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL15358903 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL4294409 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL25429324 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL7003092 1.00 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL5837912 0.89 OPRD1 (0.42) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL5837913 0.89 OPRD1 (0.42) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL25844736 0.88 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1CYP2D6
SCHEMBL25428365 0.85 OPRD1 (0.37) OPRD1OPRK1OPRM1OPRL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117681-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-29 WO disclosed