SCHEMBL30800876

SCHEMBL30800876

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.72
▸ MC4R P32245 4/20 0.65
▸ MC5R P33032 2/20 0.65
▸ MC3R P41968 2/20 0.65
▸ MC1R Q01726 2/20 0.65
▸ IL23R Q5VWK5 1/20 0.63
▸ CTSL P07711 3/20 0.61
▸ CTSS P25774 3/20 0.61
▸ CTSK P43235 3/20 0.61
▸ CTSH P09668 1/20 0.61
▸ CXCR4 P61073 7/20 0.58
▸ NMBR P28336 2/20 0.57
▸ GRPR P30550 2/20 0.57

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
SCHEMBL30427315 0.97 C5AR1 (0.72) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29533913 0.92 C5AR1 (0.75) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL3060138 0.91 C5AR1 (0.73) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29533782 0.91 C5AR1 (0.77) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL16455231 0.90 C5AR1 (0.68) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30312751 0.90 MC4R (0.77) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL18281737 0.90 MC4R (0.77) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL18281742 0.90 MC4R (0.77) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29533733 0.90 MC4R (0.78) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30427910 0.89 C5AR1 (0.62) 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
EP-3573645-B1 ALPHA-MSH ANALOGUES USED IN THE TREATMENT OF XERODERMA PIGMENTOSUM VALLAURIX MC S A R L (MC) 2024-03-13 — — EP disclosed
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