SCHEMBL4241332

SCHEMBL4241332

N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)C(=O)OC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.69
ITGB3 P05106 18/20 0.69
ITGB1 P05556 7/20 0.69
ITGA5 P08648 6/20 0.69
ITGB6 P18564 9/20 0.59
ITGB5 P18084 3/20 0.59
ITGA2B P08514 1/20 0.59

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
SCHEMBL4067320 0.93 ITGAV (0.59) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4200668 0.84 ITGB3 (0.65) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4786884 0.83 ITGB3 (0.71) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4245277 0.82 ITGAV (0.85) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4241327 0.82 ITGAV (1.00) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6729630 0.79 ITGAV (0.59) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4248670 0.79 ITGAV (0.90) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4245157 0.79 ITGB1 (0.90) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL26687063 0.79 ITGAV (0.90) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953686 0.78 ITGAV (0.75) ITGAVITGB3ITGB1ITGA5ITGB6

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