SCHEMBL8021164

SCHEMBL8021164

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.72
OPRM1 P35372 1/20 0.72
OPRD1 P41143 1/20 0.72
KMT2A Q03164 8/20 0.48
MEN1 O00255 6/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL8024233 1.00 OPRK1 (0.72) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8021161 1.00 OPRK1 (0.72) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8018248 0.94 OPRK1 (0.63) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8018252 0.94 OPRK1 (0.63) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8019654 0.94 OPRK1 (0.63) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8017432 0.93 OPRK1 (0.76) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8024577 0.93 OPRK1 (0.76) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8017436 0.93 OPRK1 (0.76) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8017748 0.92 OPRK1 (0.68) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8024574 0.92 OPRK1 (0.68) 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