SCHEMBL31474272

SCHEMBL31474272

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.55
▸ C5AR1 P21730 2/20 0.53
▸ F2 P00734 5/20 0.52
▸ OPRD1 P41143 10/20 0.51
▸ OPRM1 P35372 6/20 0.51

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
SCHEMBL31474361 0.93 MC4R (0.62) MC4RC5AR1F2OPRD1OPRM1
SCHEMBL31474321 0.89 MC4R (0.58) MC4RC5AR1F2OPRD1OPRM1
SCHEMBL30381927 0.88 F2 (0.53) MC4RC5AR1F2OPRD1OPRM1
SCHEMBL30383131 0.88 F2 (0.53) MC4RC5AR1F2OPRD1OPRM1
SCHEMBL29655724 0.86 F2 (0.60) MC4RC5AR1F2
SCHEMBL29461549 0.86 F2 (0.60) F2OPRD1OPRM1
SCHEMBL29913522 0.86 OPRD1 (0.64) C5AR1F2OPRD1OPRM1
SCHEMBL30382780 0.84 F2 (0.57) MC4RC5AR1F2OPRD1OPRM1
SCHEMBL30617831 0.84 F2 (0.58) C5AR1F2OPRD1OPRM1
SCHEMBL30567437 0.84 OPRM1 (0.56) C5AR1F2OPRD1OPRM1

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-119818386-A Biological peptide antibacterial mouthwash and preparation method and application thereof 奥洁玛(北京)生物科技有限公司 2025-04-15 — — CN disclosed
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