SCHEMBL7744204

SCHEMBL7744204

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](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.43
▸ MC4R P32245 8/20 0.43
▸ MC5R P33032 8/20 0.43
▸ MC3R P41968 8/20 0.43
▸ MC1R Q01726 8/20 0.43
▸ ITGA2B P08514 5/20 0.43
▸ ITGAV P06756 4/20 0.42
▸ CTSG P08311 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ CACNA1B Q00975 1/20 0.40

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 0.97 MC4R (0.44) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL7743862 0.97 MC4R (0.44) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL7746015 0.97 MC4R (0.44) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL7746130 0.97 MC4R (0.44) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL7744338 0.92 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL14585786 0.91 ITGB3 (0.40) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7746128 0.90 KDM4A (0.43) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL7738154 0.90 KDM4A (0.43) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL14585800 0.90 KDM4A (0.43) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL7746278 0.89 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB1ITGA5

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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