SCHEMBL8019805

SCHEMBL8019805

COc1ccc2c(c1)CCCN2C(=O)C(N)Cc1c(C)cc(O)cc1C

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.73
OPRD1 P41143 8/20 0.73
OPRK1 P41145 8/20 0.73
HSD17B10 Q99714 1/20 0.57
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
KMT2A Q03164 1/20 0.47
NOTUM Q6P988 1/20 0.46
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8024654 1.00 OPRM1 (0.73) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8019808 1.00 OPRM1 (0.73) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8019876 0.94 OPRM1 (0.63) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8019880 0.94 OPRM1 (0.63) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8021585 0.94 OPRM1 (0.63) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8019316 0.93 OPRM1 (0.64) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8024220 0.93 OPRM1 (0.64) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8019207 0.93 OPRM1 (0.64) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8019675 0.93 OPRM1 (0.64) OPRM1OPRD1OPRK1HSD17B10PDK1
SCHEMBL8019314 0.93 OPRM1 (0.64) OPRM1OPRD1OPRK1HSD17B10PDK1

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
US-6114381-A TO CONTROL BRAIN DAMAGE ASSOCIATED WITH ANOXIA OR ISCHEMIA WHICH TYPICALLY FOLLOWS STROKE, CARDIAC ARREST OR PERINATAL ASPHYXIA; COMPOUND IS AN ANTAGONIST TO INHIBIT EXCITOTOXIC ACTIONS AT EXCITATORY AMINO ACID RECEPTOR SITES G. D. SEARLE & CO. (US) 2000-09-05 US disclosed