SCHEMBL8363710

SCHEMBL8363710

CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OCCCNC(=O)C(F)(F)F)cc2)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 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 15/20 0.45
▸ ITGAV P06756 15/20 0.45
▸ ITGB1 P05556 6/20 0.45
▸ ITGA5 P08648 6/20 0.45
▸ ITGB5 P18084 8/20 0.44
▸ ITGB6 P18564 4/20 0.43
▸ ITGB8 P26012 4/20 0.43
▸ KDM4A O75164 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ NNMT P40261 1/20 0.41
▸ CTSG P08311 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ HRH3 Q9Y5N1 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
SCHEMBL14585783 0.94 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585782 0.93 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585813 0.91 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL8365684 0.91 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585796 0.90 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL8366299 0.89 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585785 0.88 PLAU (0.42) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14615578 0.87 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7744062 0.86 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585801 0.86 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5ITGB5

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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