SCHEMBL31140227

SCHEMBL31140227

N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.55
▸ MC4R P32245 5/20 0.51
▸ PRKACB P22694 1/20 0.51
▸ NPBWR1 P48145 2/20 0.49
▸ MC1R Q01726 1/20 0.48
▸ CD47 Q08722 1/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ GLP1R P43220 5/20 0.48
▸ GHSR Q92847 2/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ GCGR P47871 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL30510360 0.94 C5AR1 (0.58) C5AR1MC4RPRKACBNPBWR1CD47
SCHEMBL29511034 0.92 MC4R (0.53) C5AR1MC4RMC1RGLP1RTUBB4A
SCHEMBL31620055 0.90 MC4R (0.53) C5AR1MC4RPRKACBNPBWR1GLP1R
SCHEMBL29517075 0.90 C5AR1 (0.54) C5AR1MC4RCD47GHSRTUBB4A
SCHEMBL29511045 0.89 MC4R (0.57) MC4RPRKACBNPBWR1MC1RGHSR
SCHEMBL29540710 0.88 C5AR1 (0.58) C5AR1NPBWR1CD47GLP1RGHSR
SCHEMBL29534236 0.87 MC4R (0.55) C5AR1MC4RMC1RGLP1RGHSR
SCHEMBL2634326 0.87 MC4R (0.50) C5AR1MC4RMC1RTUBB4ATUBB
SCHEMBL31555120 0.87 MC4R (0.56) C5AR1MC4RNPBWR1GHSRTUBB4A
SCHEMBL31555122 0.87 MC4R (0.56) C5AR1MC4RNPBWR1GHSRTUBB4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119190-A Melanocortin receptor ligands 益普生制药股份有限公司 2024-12-13 — — CN disclosed
CN-105837661-B Melanocortin receptor ligands 益普生制药股份有限公司 2024-10-15 — — CN disclosed
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