SCHEMBL9713882

SCHEMBL9713882

NC(=O)CC(NC(=O)CNC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.46
▸ OPRM1 P35372 8/20 0.46
▸ F2 P00734 4/20 0.44
▸ OPRK1 P41145 3/20 0.44
▸ OPRL1 P41146 1/20 0.42
▸ KEAP1 Q14145 1/20 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
SCHEMBL9713899 1.00 OPRD1 (0.46) OPRD1OPRM1F2OPRK1OPRL1
SCHEMBL30385928 0.86 F2 (0.47) OPRD1OPRM1F2OPRK1KEAP1
SCHEMBL30455074 0.86 OPRD1 (0.36) OPRD1OPRM1F2
SCHEMBL29649733 0.85 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL30692725 0.84 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL31721844 0.83 OPRM1 (0.53) OPRD1OPRM1F2OPRK1
SCHEMBL31722880 0.83 F2 (0.37) F2
SCHEMBL30123343 0.82 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL30974011 0.82 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL30504749 0.82 OPRM1 (0.36) OPRD1OPRM1F2OPRK1

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-1992019744-A1 ACID α-AMYLASE VALIO, FINNISH CO-OPERATIVE DAIRIES' ASSOCIATION (FI) 1992-11-12 — — WO disclosed
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