SCHEMBL6777398

SCHEMBL6777398

CC(NC(=O)c1cccc(NC(=N)N)c1)C(=O)NC(CC(=O)O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.53
ITGB3 P05106 15/20 0.52
ITGA2B P08514 14/20 0.52
ITGAV P06756 12/20 0.46
HTT P42858 1/20 0.43
GPR132 Q9UNW8 1/20 0.42
BRAF P15056 1/20 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
SCHEMBL6776522 0.89 ROCK2 (0.45) SUCNR1ITGB3ITGA2BITGAVHTT
SCHEMBL6777410 0.87 SUCNR1 (0.54) SUCNR1ITGB3ITGA2BITGAVGPR132
SCHEMBL6776653 0.85 ITGB3 (0.58) SUCNR1ITGB3ITGA2BITGAV
SCHEMBL7836730 0.82 ITGB3 (0.40) ITGB3ITGA2BITGAV
SCHEMBL6779388 0.81 ITGB3 (0.55) SUCNR1ITGB3ITGA2BITGAV
SCHEMBL6367673 0.79 ITGB3 (0.49) SUCNR1ITGB3ITGA2BITGAVHTT
SCHEMBL7385641 0.79 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7385648 0.79 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7138718 0.78 SUCNR1 (0.49) SUCNR1ITGB3ITGA2BITGAVHTT
SCHEMBL7142255 0.77 SUCNR1 (0.58) SUCNR1ITGB3ITGA2BITGAVGPR132

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 8 patents. 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
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
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
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 disclosed
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 disclosed