SCHEMBL14585791

SCHEMBL14585791

CCC[C@H](NC(=O)C(F)(F)F)C(=O)NCCCC[C@@H]1NC(=O)/C(=C/c2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)NC(=O)C(F)(F)F)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 15/20 0.38
▸ ITGAV P06756 13/20 0.38
▸ ITGB5 P18084 11/20 0.38
▸ ITGB1 P05556 4/20 0.38
▸ ITGA5 P08648 4/20 0.38
▸ ITGA2B P08514 4/20 0.38
▸ ITGB6 P18564 3/20 0.38
▸ ITGB8 P26012 3/20 0.38
▸ MC4R P32245 5/20 0.36
▸ MC5R P33032 5/20 0.36
▸ MC3R P41968 5/20 0.36
▸ MC1R Q01726 5/20 0.36

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
SCHEMBL14615653 0.85 ITGB3 (0.37) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14585790 0.83 ITGB3 (0.36) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8365732 0.79 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14615550 0.79 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14585789 0.78 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8363715 0.77 ITGB3 (0.51) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14585788 0.76 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL17117494 0.74 ITGB3 (0.51) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14585796 0.74 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8364122 0.73 ITGB3 (0.48) ITGB3ITGAVITGB5ITGB1ITGA5

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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