SCHEMBL4070620

SCHEMBL4070620

Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(OCCc2ccc3c(n2)OCCN3)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.70
ITGA5 P08648 20/20 0.70
ITGB3 P05106 14/20 0.70
ITGAV P06756 14/20 0.70

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
SCHEMBL4074983 0.95 ITGB1 (0.64) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4068188 0.91 ITGB1 (0.70) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4066315 0.88 ITGB1 (0.90) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4066312 0.88 ITGB1 (0.65) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4068227 0.88 ITGB1 (0.63) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4073721 0.87 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4069743 0.84 ITGB1 (0.58) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4067561 0.84 ITGB1 (0.68) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4787748 0.84 ITGB1 (0.63) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4743659 0.84 ITGB1 (0.54) 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 claimed
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 claimed