SCHEMBL8018166

SCHEMBL8018166

COc1cc(C)c(C[C@H](N)C(=O)N2CCCc3ccccc32)c(C)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.79
OPRD1 P41143 1/20 0.79
OPRK1 P41145 1/20 0.79
TSHR P16473 6/20 0.56
ALDH1A1 P00352 9/20 0.52
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 2/20 0.51
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL8018088 1.00 OPRM1 (0.79) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8018087 1.00 OPRM1 (0.79) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8017118 0.94 OPRK1 (0.69) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8011022 0.94 OPRK1 (0.69) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8017120 0.94 OPRK1 (0.69) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8017436 0.92 OPRK1 (0.76) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8017432 0.92 OPRK1 (0.76) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8024577 0.92 OPRK1 (0.76) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8021585 0.90 OPRM1 (0.63) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8019880 0.90 OPRM1 (0.63) OPRM1OPRD1OPRK1TSHRALDH1A1

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