SCHEMBL7219528

SCHEMBL7219528

CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(NC(=N)N)cc2)=NO1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.83
▸ ITGA2B P08514 20/20 0.83

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
SCHEMBL7219511 1.00 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7213400 0.91 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6128667 0.88 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL7213402 0.85 ITGB3 (0.77) ITGB3ITGA2B
Roxifiban SCHEMBL24336949 0.84 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL344302 0.84 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL919675 0.84 ITGB3 (0.95) ITGB3ITGA2B
SCHEMBL7376910 0.84 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7375616 0.84 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7220986 0.80 ITGB3 (0.83) ITGB3ITGA2B

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-6623981-B2 Detecting antibodies which bind integrin bound modulators; obtain sample, incubate with modulators and antibodies, form complexes, screen for bound complex BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 — — US disclosed
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