SCHEMBL31297104

SCHEMBL31297104

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)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 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.46
▸ APLNR P35414 5/20 0.44
▸ TLR2 O60603 2/20 0.44
▸ OPRD1 P41143 2/20 0.43
▸ FAP Q12884 1/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ OPRK1 P41145 3/20 0.42
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 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
SCHEMBL31297108 0.97 REN (0.46) RENAPLNROPRD1FAPOPRM1
SCHEMBL31297115 0.97 APLNR (0.45) RENAPLNRTLR2OPRD1OPRM1
SCHEMBL30313548 0.91 MMP1 (0.42) RENAPLNRTLR2FAP
SCHEMBL31297111 0.91 TLR2 (0.46) APLNRTLR2FAP
SCHEMBL30313491 0.88 MMP1 (0.43) RENAPLNRTLR2FAPOPRM1
SCHEMBL30313483 0.88 MMP1 (0.44) RENAPLNRTLR2
SCHEMBL30313501 0.85 REN (0.40) RENAPLNR
SCHEMBL31297113 0.85 F2 (0.47) TLR2FAPOPRM1
SCHEMBL30718998 0.85 TLR2 (0.54) TLR2
SCHEMBL31297110 0.85 APLNR (0.43) RENAPLNROPRD1OPRM1OPRK1

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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