SCHEMBL4243117

SCHEMBL4243117

CCN(CC)c1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C3CC3)C(=O)O)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.78
ITGA5 P08648 20/20 0.78
ITGB3 P05106 16/20 0.78
ITGAV P06756 16/20 0.78

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
SCHEMBL4065796 0.87 ITGB1 (1.00) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4244128 0.77 ITGB1 (0.65) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4927458 0.76 ITGB3 (1.00) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4070827 0.76 ITGB3 (1.00) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4068178 0.75 ITGB3 (0.84) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4067631 0.75 ITGB3 (1.00) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4070162 0.75 ITGB3 (0.88) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4072158 0.74 ITGB3 (0.82) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4068834 0.74 ITGB3 (0.88) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4070455 0.73 ITGB3 (0.81) ITGB1ITGA5ITGB3ITGAV

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-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed