SCHEMBL7347755

SCHEMBL7347755

NN=CNc1cccc(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGB1 P05556 6/20 0.43
ITGAV P06756 6/20 0.43
ITGA5 P08648 6/20 0.43
CA2 P00918 3/20 0.43
MDM4 O15151 3/20 0.43
CA1 P00915 2/20 0.43
FOLH1 Q04609 5/20 0.43
MDM2 Q00987 5/20 0.43
GAA P10253 1/20 0.43
HPGDS O60760 1/20 0.43
GPR139 Q6DWJ6 3/20 0.41

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
SCHEMBL6775970 0.86 GPR132 (0.49) ITGB3ITGB1ITGAVITGA5CA2
SCHEMBL7344242 0.85 GPR139 (0.44) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7347747 0.85 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL6780118 0.85 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL3051751 0.84 GPR139 (0.44) ITGB3ITGB1ITGAVITGA5CA2
SCHEMBL6782093 0.84 ITGB1 (0.41) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7823171 0.84 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL6777803 0.83 ITGB1 (0.39) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL6779571 0.83 FPR2 (0.43) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7340124 0.83 CA2 (0.46) ITGB3ITGB1ITGAVITGA5CA2

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