SCHEMBL8024574

SCHEMBL8024574

Cc1cc(OC(=O)OCC(C)C)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.68
OPRM1 P35372 1/20 0.68
OPRD1 P41143 1/20 0.68
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL8017748 1.00 OPRK1 (0.68) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8017751 1.00 OPRK1 (0.68) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8018125 0.95 OPRK1 (0.60) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8017026 0.95 OPRK1 (0.60) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8017023 0.95 OPRK1 (0.60) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8024233 0.92 OPRK1 (0.72) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8021164 0.92 OPRK1 (0.72) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8021161 0.92 OPRK1 (0.72) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8017432 0.91 OPRK1 (0.76) OPRK1OPRM1OPRD1KMT2AMEN1
SCHEMBL8024577 0.91 OPRK1 (0.76) 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