SCHEMBL31297110

SCHEMBL31297110

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.43
▸ REN P00797 1/20 0.43
▸ NMUR2 Q9GZQ4 3/20 0.43
▸ NMUR1 Q9HB89 3/20 0.43
▸ OPRD1 P41143 5/20 0.42
▸ OPRM1 P35372 5/20 0.42
▸ OPRK1 P41145 5/20 0.42
▸ GLP1R P43220 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ GIPR P48546 1/20 0.40
▸ CXCR4 P61073 1/20 0.40

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
SCHEMBL30313444 0.90 NMUR2 (0.42) APLNRNMUR2NMUR1OPRD1OPRM1
SCHEMBL31297104 0.85 REN (0.46) APLNRRENOPRD1OPRM1OPRK1
SCHEMBL31297108 0.84 REN (0.46) APLNRRENOPRD1OPRM1OPRK1
SCHEMBL31297112 0.83 APLNR (0.54) APLNRRENNMUR2NMUR1OPRD1
SCHEMBL31297115 0.82 APLNR (0.45) APLNRRENOPRD1OPRM1OPRK1
SCHEMBL30933143 0.81 APLNR (0.53) APLNRRENNMUR2NMUR1OPRD1
SCHEMBL30933156 0.81 APLNR (0.53) APLNRRENNMUR2NMUR1OPRD1
SCHEMBL30170451 0.81 APLNR (0.53) APLNRRENNMUR2NMUR1OPRD1
SCHEMBL30933101 0.81 REN (0.54) APLNRRENNMUR2NMUR1OPRD1
SCHEMBL22018313 0.80 APLNR (0.50) APLNRNMUR2NMUR1OPRD1OPRM1

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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