SCHEMBL31620054

SCHEMBL31620054

N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 10/20 0.45
▸ APLNR P35414 1/20 0.42
▸ MC4R P32245 5/20 0.42
▸ GLP1R P43220 1/20 0.40
▸ SCTR P47872 1/20 0.40
▸ C5AR1 P21730 1/20 0.40
▸ CTNNB1 P35222 1/20 0.39

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
SCHEMBL30028749 0.94 FOLH1 (0.44) FOLH1APLNRMC4RCTNNB1
SCHEMBL29476475 0.94 FOLH1 (0.45) FOLH1APLNRMC4RGLP1RSCTR
SCHEMBL30044979 0.93 NPY4R (0.42) APLNRMC4R
SCHEMBL30510396 0.89 MC4R (0.50) MC4RGLP1RC5AR1
SCHEMBL31620055 0.88 MC4R (0.53) MC4RGLP1RC5AR1
SCHEMBL30663358 0.88 FOLH1 (0.46) FOLH1MC4RC5AR1
SCHEMBL30510278 0.88 NPY4R (0.44) APLNRMC4R
SCHEMBL31620050 0.88 CTSL (0.46) FOLH1APLNRGLP1RSCTRC5AR1
SCHEMBL30510368 0.87 NPY4R (0.44) APLNRMC4R
SCHEMBL29511116 0.87 FNTA (0.47) FOLH1APLNRMC4RGLP1RSCTR

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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