SCHEMBL8363715

SCHEMBL8363715

N=C(NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)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 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.51
▸ ITGAV P06756 16/20 0.51
▸ ITGB5 P18084 12/20 0.51
▸ ITGA2B P08514 6/20 0.50
▸ ITGA5 P08648 5/20 0.50
▸ ITGB1 P05556 4/20 0.50
▸ ITGB6 P18564 3/20 0.50
▸ ITGB8 P26012 3/20 0.50

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
SCHEMBL14585788 0.95 ITGB3 (0.49) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL17117494 0.94 ITGB3 (0.51) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL8364122 0.94 ITGB3 (0.48) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL8365134 0.90 ITGB3 (0.48) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL14585796 0.86 ITGB3 (0.49) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL8363710 0.85 ITGB3 (0.45) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL8365732 0.85 ITGB3 (0.49) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL14585789 0.84 ITGB3 (0.47) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL14585783 0.83 ITGB3 (0.49) ITGB3ITGAVITGB5ITGA2BITGA5
SCHEMBL20888358 0.82 ITGB3 (0.58) ITGB3ITGAVITGB5ITGA2BITGA5

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-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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