SCHEMBL7657217

SCHEMBL7657217

N=C(N)c1ccc(CNC(=O)c2ccc3c(c2)N[C@H](CC(N)=O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.73
ITGA2B P08514 17/20 0.73
ITGAV P06756 5/20 0.65

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
Trifluoroacetic Acid SCHEMBL7435706 0.95 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7442201 0.95 ITGB3 (0.81) ITGB3ITGA2BITGAV
SCHEMBL6953183 0.95 ITGB3 (0.81) ITGB3ITGA2BITGAV
SCHEMBL7437502 0.91 ITGB3 (0.67) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7659030 0.90 ITGB3 (0.66) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7659024 0.90 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7436720 0.88 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7442994 0.88 ITGB3 (0.58) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7661177 0.88 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7441019 0.87 ITGB3 (0.68) 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
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed