SCHEMBL8364122

SCHEMBL8364122

N=C(NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)NC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.48
▸ ITGA2B P08514 7/20 0.48
▸ ITGAV P06756 13/20 0.45
▸ ITGB5 P18084 10/20 0.45
▸ ITGB1 P05556 4/20 0.44
▸ ITGA5 P08648 4/20 0.44
▸ ITGB6 P18564 3/20 0.44
▸ ITGB8 P26012 3/20 0.44
▸ CXCR4 P61073 2/20 0.42

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
SCHEMBL8363715 0.94 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL14585788 0.89 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL17117494 0.88 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL8363710 0.85 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL14585796 0.85 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL8365134 0.84 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL14585783 0.83 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL29393726 0.83 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB5CXCR4
SCHEMBL16301538 0.82 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL16135240 0.81 ITGB3 (0.54) ITGB3ITGA2BITGAVITGB5ITGB1

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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