SCHEMBL7835706

SCHEMBL7835706

CCc1ncccc1C(CC(=O)O)NC(=O)CNC(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.50
ITGAV P06756 19/20 0.50
ITGB6 P18564 14/20 0.50
ITGB1 P05556 3/20 0.50
ITGA5 P08648 3/20 0.50
ITGB5 P18084 3/20 0.50
ITGB8 P26012 3/20 0.50
ITGA8 P53708 3/20 0.50

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
SCHEMBL7838144 0.92 KDR (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7836000 0.88 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7834590 0.88 RAB9A (0.54) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7837248 0.85 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7837230 0.85 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7836399 0.84 GPR139 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7832124 0.83 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7836585 0.83 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7835684 0.83 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7831899 0.83 ITGB3 (0.44) ITGB3ITGAVITGB6ITGB1ITGA5

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
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed