SCHEMBL23748773

SCHEMBL23748773

CC(C)c1ccc(C2(O)CN(C(C)(C)C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.37
OPRD1 P41143 7/20 0.37
OPRK1 P41145 7/20 0.37
OPRL1 P41146 7/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN2B Q13224 2/20 0.35
CYP2D6 P10635 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL17886542 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL12940192 0.79 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL15543215 0.79 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL18115648 0.78 ALDH1A1 (0.58) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL24421814 0.76 ALDH1A1 (0.37) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL569815 0.76 ALDH1A1 (0.37) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL11951644 0.76 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL11951588 0.76 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL15544188 0.75 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23748780 0.75 ALDH1A1 (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed