SCHEMBL8024577

SCHEMBL8024577

COC(=O)Oc1cc(C)c(C[C@H](N)C(=O)N2CCCc3ccccc32)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.76
OPRM1 P35372 1/20 0.76
OPRD1 P41143 1/20 0.76
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 3/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8017436 1.00 OPRK1 (0.76) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8017432 1.00 OPRK1 (0.76) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8007787 0.94 OPRK1 (0.66) OPRK1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL8007788 0.94 OPRK1 (0.66) OPRK1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL8020146 0.94 OPRK1 (0.66) OPRK1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL8021164 0.93 OPRK1 (0.72) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8024233 0.93 OPRK1 (0.72) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8021161 0.93 OPRK1 (0.72) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8018088 0.92 OPRM1 (0.79) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8018087 0.92 OPRM1 (0.79) OPRK1OPRM1OPRD1KMT2AMEN1

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