SCHEMBL7469428

SCHEMBL7469428

COC1(Nc2ncccn2)CCCCN1c1cccc(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.48
ITGA2B P08514 16/20 0.48
ITGAV P06756 12/20 0.44

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
SCHEMBL6509701 0.91 ITGAV (0.44) ITGB3ITGA2BITGAV
SCHEMBL6499161 0.88 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL6506080 0.87 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL6505400 0.86 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL6498916 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL6503842 0.81 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL6498563 0.80 ITGAV (0.43) ITGB3ITGA2BITGAV
SCHEMBL6499454 0.79 KMT2A (0.44)
SCHEMBL6497982 0.77 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL6500788 0.76 ITGB3 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP disclosed