SCHEMBL31373855

SCHEMBL31373855

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ MC4R P32245 2/20 0.57
▸ MC5R P33032 2/20 0.57
▸ MC3R P41968 2/20 0.57
▸ MC1R Q01726 2/20 0.57
▸ CXCR4 P61073 4/20 0.57
▸ KISS1R Q969F8 4/20 0.54
▸ IL23R Q5VWK5 2/20 0.54

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
SCHEMBL29444580 0.90 C5AR1 (0.62) C5AR1CXCR4KISS1RIL23R
SCHEMBL31029901 0.89 CXCR4 (0.54) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29425245 0.86 GNRHR (0.62) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29973185 0.86 KISS1R (0.60) KISS1RIL23R
SCHEMBL34463652 0.85 OPRM1 (0.57) C5AR1KISS1R
SCHEMBL30797902 0.85 CXCR4 (0.58) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30797894 0.85 KISS1R (0.56) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30301123 0.85 KISS1R (0.59) C5AR1CXCR4KISS1RIL23R
SCHEMBL31710338 0.85 KISS1R (0.64) KISS1RIL23R
SCHEMBL31040596 0.85 CTSL (0.59) C5AR1MC4RMC5RMC3RMC1R

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-119684400-A Red rice bran source small molecule peptide and application thereof 昆明理工大学 2025-03-25 — — CN disclosed
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