SCHEMBL4064188

SCHEMBL4064188

Cc1ccc(Cl)c(C(=O)OC(=O)[C@@H](N)Cc2ccc(OCCCNc3ccccn3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 13/20 0.53
▸ ITGB3 P05106 13/20 0.53
▸ ITGAV P06756 13/20 0.53
▸ ITGB6 P18564 3/20 0.53
▸ ITGB5 P18084 2/20 0.53
▸ ITGA5 P08648 9/20 0.53
▸ MDM4 O15151 1/20 0.47
▸ MDM2 Q00987 1/20 0.47

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
SCHEMBL4919562 0.81 ITGB3 (0.67) ITGB1ITGB3ITGAVITGB6ITGB5
SCHEMBL4064183 0.81 ITGB1 (0.74) ITGB1ITGB3ITGAVITGB6ITGB5
Hydrochloric Acid SCHEMBL4071123 0.80 ITGB3 (0.66) ITGB1ITGB3ITGAVITGB6ITGB5
SCHEMBL18067805 0.72 ITGB1 (0.85) ITGB1ITGB3ITGAVITGB6ITGB5
SCHEMBL4068426 0.72 ITGB1 (0.49) ITGB1ITGB3ITGAVITGB6ITGB5
SCHEMBL18056099 0.72 ITGB3 (0.77) ITGB1ITGB3ITGAVITGB6ITGB5
SCHEMBL4066463 0.71 ITGB1 (0.83) ITGB1ITGB3ITGAVITGB6ITGB5
SCHEMBL4918910 0.71 ITGB1 (0.81) ITGB1ITGB3ITGAVITGB6ITGB5
SCHEMBL14270716 0.70 ITGB1 (0.83) ITGB1ITGB3ITGAVITGB6ITGB5
SCHEMBL4070201 0.70 ITGB1 (0.79) ITGB1ITGB3ITGAVITGB6ITGB5

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
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