SCHEMBL31297115

SCHEMBL31297115

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.45
▸ REN P00797 1/20 0.45
▸ TLR2 O60603 2/20 0.44
▸ OPRM1 P35372 7/20 0.43
▸ OPRK1 P41145 7/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ FDFT1 P37268 1/20 0.42

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
SCHEMBL31297104 0.97 REN (0.46) APLNRRENTLR2OPRM1OPRK1
SCHEMBL31297108 0.95 REN (0.46) APLNRRENOPRM1OPRK1OPRD1
SCHEMBL31297111 0.94 TLR2 (0.46) APLNRTLR2FDFT1
SCHEMBL30313483 0.91 MMP1 (0.44) APLNRRENTLR2MMP1MMP3
SCHEMBL30313548 0.88 MMP1 (0.42) APLNRRENTLR2MMP1MMP3
SCHEMBL31297113 0.88 F2 (0.47) TLR2OPRM1FDFT1
SCHEMBL30313491 0.86 MMP1 (0.43) APLNRRENTLR2OPRM1OPRK1
SCHEMBL30313541 0.85 MDM2 (0.44) TLR2FDFT1
SCHEMBL29777663 0.84 PRCP (0.48) TLR2OPRM1FDFT1
SCHEMBL31113348 0.84 PSMB9 (0.46) OPRD1FDFT1

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
CN-113474356-B Peptides and pharmaceutical compositions for the treatment of ocular diseases 株式会社柳柳制药 2024-12-17 — — CN disclosed
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