SCHEMBL8017976

SCHEMBL8017976

COc1cc(C)c(C[C@@H](N)C(=O)N2CCCc3cc(OC)ccc32)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.56
OPRD1 P41143 3/20 0.56
OPRK1 P41145 3/20 0.56
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
NOTUM Q6P988 1/20 0.44
NR3C1 P04150 2/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL8007525 1.00 OPRM1 (0.56) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8017971 1.00 OPRM1 (0.56) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8016971 0.95 OPRM1 (0.52) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8016977 0.95 OPRM1 (0.52) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8018354 0.95 OPRM1 (0.52) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8021585 0.93 OPRM1 (0.63) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8019880 0.93 OPRM1 (0.63) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8019876 0.93 OPRM1 (0.63) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8019316 0.93 OPRM1 (0.64) OPRM1OPRD1OPRK1HSD17B10KMT2A
SCHEMBL8019675 0.93 OPRM1 (0.64) OPRM1OPRD1OPRK1HSD17B10KMT2A

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