SCHEMBL29934618

SCHEMBL29934618

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.51
▸ OPRD1 P41143 3/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ APLNR P35414 1/20 0.48
▸ REN P00797 1/20 0.48
▸ CXCL8 P10145 1/20 0.48

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
SCHEMBL11284539 0.83 OPRM1 (0.52) OPRM1OPRD1APLNR
SCHEMBL11284534 0.83 OPRM1 (0.52) OPRM1OPRD1APLNR
SCHEMBL30693080 0.82 OPRM1 (0.56) OPRM1OPRD1OPRK1REN
SCHEMBL30186403 0.81 DPP3 (0.54) OPRM1OPRD1APLNR
SCHEMBL21581733 0.80 OPRM1 (0.53) OPRM1OPRD1
SCHEMBL29392132 0.80 CALCRL (0.55) OPRM1OPRD1OPRK1
SCHEMBL30186419 0.80 CALCRL (0.58) OPRM1OPRD1
SCHEMBL29591081 0.80 NTSR1 (0.53) OPRM1OPRD1
SCHEMBL29630391 0.80 ACE (0.55) OPRM1OPRD1OPRK1
SCHEMBL31717948 0.80 OPRM1 (0.56) OPRM1OPRD1OPRK1

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-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
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