SCHEMBL7823293

SCHEMBL7823293

CC1(C)CN=C(Nc2cccc(C(=O)NCC(=O)NC(Cc3cc(Cl)cc(Br)c3O)C(=O)O)c2)NC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGAV P06756 20/20 0.56
ITGB6 P18564 15/20 0.56
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
ITGB5 P18084 1/20 0.50
ITGB8 P26012 1/20 0.50
ITGA8 P53708 1/20 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
SCHEMBL7836283 0.93 ITGB3 (0.54) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6783501 0.88 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7837139 0.86 ITGB3 (0.74) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7823285 0.86 ITGB3 (0.76) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7825362 0.81 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773507 0.80 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773385 0.80 ITGB3 (0.75) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7836126 0.79 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7340415 0.77 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6226354 0.76 ITGB3 (0.75) 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