SCHEMBL7746015

SCHEMBL7746015

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)c2ccc(N/N=C/c3ccccc3S(=O)(=O)O)nc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.44
▸ MC5R P33032 9/20 0.44
▸ MC3R P41968 9/20 0.44
▸ MC1R Q01726 9/20 0.44
▸ ITGB3 P05106 11/20 0.43
▸ ITGAV P06756 9/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGB5 P18084 5/20 0.41
▸ ITGA2B P08514 2/20 0.41

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
SCHEMBL14585806 1.00 MC4R (0.44) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7746130 1.00 MC4R (0.44) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7743862 1.00 MC4R (0.44) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7744204 0.97 ITGB3 (0.43) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7744338 0.95 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7746278 0.93 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14615580 0.92 ITGB3 (0.40) MC4RMC5RMC3RMC1RITGB3
SCHEMBL8363695 0.92 ITGB3 (0.46) MC4RMC5RMC3RMC1RITGB3
SCHEMBL8365734 0.92 ITGB3 (0.46) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7744244 0.91 ITGB3 (0.43) MC4RMC5RMC3RMC1RITGB3

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
US-6537520-B1 Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-25 — — US disclosed
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