SCHEMBL14585787

SCHEMBL14585787

N=C(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)NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.41
▸ ITGAV P06756 15/20 0.41
▸ ITGA2B P08514 3/20 0.40
▸ ITGB5 P18084 11/20 0.40
▸ ITGB1 P05556 4/20 0.40
▸ ITGA5 P08648 4/20 0.40
▸ ITGB6 P18564 3/20 0.40
▸ ITGB8 P26012 3/20 0.40
▸ MC4R P32245 4/20 0.38
▸ MC5R P33032 4/20 0.38
▸ MC3R P41968 4/20 0.38
▸ MC1R Q01726 4/20 0.38

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
SCHEMBL14585786 0.97 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14585799 0.93 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL8363713 0.93 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14585780 0.92 ITGB3 (0.38) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL14585806 0.91 MC4R (0.44) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7746130 0.91 MC4R (0.44) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7743862 0.91 MC4R (0.44) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7746015 0.91 MC4R (0.44) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7744338 0.90 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL8365680 0.90 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5ITGB1

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
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 — — US disclosed
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 — — US disclosed
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