SCHEMBL8363713

SCHEMBL8363713

N=C(NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)c2ccc(N/N=C/c3ccccc3S)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 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.43
▸ ITGAV P06756 16/20 0.43
▸ ITGB5 P18084 11/20 0.42
▸ ITGA2B P08514 6/20 0.42
▸ ITGB1 P05556 4/20 0.42
▸ ITGA5 P08648 4/20 0.42
▸ ITGB6 P18564 3/20 0.42
▸ ITGB8 P26012 3/20 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
SCHEMBL8365680 0.97 ITGB3 (0.41) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL14585787 0.93 ITGB3 (0.41) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL8365139 0.92 ITGB3 (0.41) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL8366358 0.91 ITGB3 (0.40) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL8365734 0.91 ITGB3 (0.46) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL8363695 0.91 ITGB3 (0.46) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL14585786 0.90 ITGB3 (0.40) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL8366215 0.89 ITGB3 (0.46) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL14585799 0.86 ITGB3 (0.40) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL14585780 0.86 ITGB3 (0.38) ITGB3ITGAVITGB5ITGA2BITGB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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