SCHEMBL31620052

SCHEMBL31620052

CC(C)[C@@H](NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.57
▸ IL23R Q5VWK5 1/20 0.57
▸ DPP3 Q9NY33 5/20 0.57
▸ KISS1R Q969F8 4/20 0.54
▸ CXCR4 P61073 2/20 0.52
▸ EPHA2 P29317 2/20 0.51
▸ APLNR P35414 1/20 0.51
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ MC4R P32245 2/20 0.50
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 2/20 0.50
▸ MC1R Q01726 2/20 0.50

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
SCHEMBL29476509 0.94 KISS1R (0.55) C5AR1IL23RDPP3KISS1RCXCR4
SCHEMBL29476405 0.94 KISS1R (0.55) C5AR1IL23RDPP3KISS1RCXCR4
SCHEMBL29476615 0.91 DPP3 (0.55) C5AR1IL23RDPP3KISS1RCXCR4
SCHEMBL29476485 0.91 DPP3 (0.55) C5AR1IL23RDPP3KISS1RCXCR4
SCHEMBL29476408 0.91 KISS1R (0.53) C5AR1IL23RDPP3KISS1RCXCR4
SCHEMBL31430442 0.90 C5AR1 (0.62) C5AR1IL23RDPP3KISS1REPHA2
SCHEMBL34461090 0.90 DPP3 (0.59) C5AR1IL23RDPP3KISS1RCXCR4
SCHEMBL31376716 0.89 CXCR4 (0.55) C5AR1IL23RDPP3KISS1RCXCR4
SCHEMBL34461093 0.89 KISS1R (0.57) C5AR1IL23RDPP3KISS1RCXCR4
SCHEMBL29546449 0.89 C5AR1 (0.56) C5AR1IL23RDPP3KISS1RCXCR4

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-120152725-A Methods of treating obesity using MC4R agonists 节奏制药公司 2025-06-13 — — CN disclosed
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