SCHEMBL7767236

SCHEMBL7767236

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.53
▸ OPRD1 P41143 4/20 0.52
▸ OPRM1 P35372 2/20 0.52
▸ NTSR1 P30989 2/20 0.49
▸ NTSR2 O95665 1/20 0.49
▸ AGTR2 P50052 4/20 0.49
▸ AGTR1 P30556 3/20 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
SCHEMBL7767229 1.00 F2 (0.53) F2OPRD1OPRM1NTSR1NTSR2
SCHEMBL30678871 0.85 OPRM1 (0.56) F2OPRD1OPRM1
SCHEMBL29860120 0.83 F2 (0.64) F2OPRD1NTSR1NTSR2AGTR2
SCHEMBL30512597 0.83 NTSR1 (0.55) F2OPRD1NTSR1NTSR2AGTR2
SCHEMBL30678901 0.82 OPRM1 (0.54) OPRD1OPRM1
SCHEMBL29465062 0.82 OPRD1 (0.62) F2OPRD1OPRM1
SCHEMBL29800893 0.81 NTSR1 (0.54) F2OPRD1OPRM1NTSR1NTSR2
SCHEMBL30607218 0.81 OPRD1 (0.53) F2OPRD1OPRM1
SCHEMBL31067243 0.81 OPRD1 (0.54) F2OPRD1OPRM1NTSR1NTSR2
SCHEMBL31511420 0.81 OPRM1 (0.56) F2OPRD1OPRM1

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
WO-2001086303-A2 RAPID TESTS FOR HERBICIDE RESISTANCE IN GRASSES HARPER ADAMS UNIVERSITY COLLEGE (GB) 2001-11-15 — — WO disclosed
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