SCHEMBL7059871

SCHEMBL7059871

Cn1cc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)c(=O)c2cc(F)c(CCNC3N=CCCN3)c(F)c21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.38
ITGA2B P08514 18/20 0.38
ITGAV P06756 3/20 0.38
MAPT P10636 2/20 0.34

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
SCHEMBL1071022 0.94 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL7059050 0.88 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL1069667 0.86 ITGB3 (0.38) ITGB3ITGA2BITGAV
SCHEMBL1071021 0.83 ITGAV (0.43) ITGB3ITGA2BITGAV
SCHEMBL8311626 0.83 ALDH1A1 (0.36) ITGB3ITGA2BITGAV
SCHEMBL7059299 0.82 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL1072536 0.81 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL1069863 0.79 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL1070494 0.79 ITGAV (0.43) ITGB3ITGA2BITGAV
SCHEMBL27580826 0.79 ITGB3 (0.37) ITGB3ITGA2BITGAV

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
EP-1307226-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-05-07 EP disclosed
WO-2001097848-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed