SCHEMBL8019695

SCHEMBL8019695

Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 1.00
OPRM1 P35372 9/20 1.00
OPRD1 P41143 8/20 1.00
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL8007390 1.00 OPRK1 (1.00) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL8017684 1.00 OPRK1 (1.00) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL8018359 0.93 OPRK1 (0.87) OPRK1OPRM1OPRD1
SCHEMBL8017641 0.93 OPRK1 (0.87) OPRK1OPRM1OPRD1
SCHEMBL8017637 0.93 OPRK1 (0.87) OPRK1OPRM1OPRD1
SCHEMBL8018088 0.88 OPRM1 (0.79) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL8018166 0.88 OPRM1 (0.79) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL8018087 0.88 OPRM1 (0.79) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL10421575 0.88 OPRK1 (0.78) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL10421573 0.88 OPRK1 (0.78) OPRK1OPRM1OPRD1MEN1KMT2A

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