SCHEMBL7744338

SCHEMBL7744338

NC(=O)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)c2ccc(NN=Cc3ccccc3S(=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 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.44
▸ ITGAV P06756 15/20 0.44
▸ ITGB1 P05556 2/20 0.44
▸ ITGA5 P08648 2/20 0.44
▸ ITGA2B P08514 6/20 0.43
▸ ITGB5 P18084 10/20 0.42
▸ ITGB6 P18564 1/20 0.41
▸ ITGB8 P26012 1/20 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
SCHEMBL7746015 0.95 MC4R (0.44) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL14585806 0.95 MC4R (0.44) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7743862 0.95 MC4R (0.44) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7746130 0.95 MC4R (0.44) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7746278 0.94 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7744204 0.92 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL8366215 0.92 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7738610 0.91 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL14585787 0.90 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6815646 0.90 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5ITGA2B

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
Send feedback