SCHEMBL7919632

SCHEMBL7919632

O=C(O)CC(c1cc(F)cc(F)c1)c1cccc(CCNC(=O)c2cccc(NC3=NCCCN3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.49
ITGAV P06756 20/20 0.49
ITGB6 P18564 6/20 0.49
ITGA2B P08514 12/20 0.48
ITGB1 P05556 9/20 0.46
ITGB5 P18084 9/20 0.46
ITGA5 P08648 1/20 0.43
ITGB8 P26012 1/20 0.43
ITGA8 P53708 1/20 0.43

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
SCHEMBL6809549 0.92 ITGB3 (0.51) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7919635 0.84 ITGB3 (0.49) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7856513 0.78 ITGB3 (0.45) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL8444230 0.72 ITGB3 (0.65) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL6798729 0.72 ITGB3 (0.44) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL13109233 0.72 ITGB3 (0.67) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL23489521 0.72 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL30073964 0.72 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL2836542 0.72 ITGB3 (0.59) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL8524575 0.72 LMNA (0.42) ITGB3ITGAVITGB6ITGB1ITGB5

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-1140193-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038665-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed