SCHEMBL7367429

SCHEMBL7367429

O=C(O)CCc1cc(Cl)cc(Cl)c1NC(=O)CNC(=O)c1cccc(NC2=NCCCN2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGAV P06756 20/20 0.62
ITGB6 P18564 9/20 0.62
ITGA2B P08514 8/20 0.60
ITGB1 P05556 7/20 0.58
ITGB5 P18084 7/20 0.58
ITGA5 P08648 1/20 0.51
ITGB8 P26012 1/20 0.51
ITGA8 P53708 1/20 0.51

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
SCHEMBL7367565 0.90 ITGB3 (0.55) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7449770 0.89 ITGB3 (0.59) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7450003 0.88 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7340047 0.86 ITGB3 (0.62) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7349856 0.86 ITGB3 (0.46) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7340415 0.85 ITGB3 (0.46) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL23489521 0.81 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL30073964 0.81 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7372242 0.79 ITGB3 (0.56) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL4336179 0.78 SMN1; SMN2 (0.41) ITGB3ITGAVITGB6ITGA2B

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-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed