SCHEMBL7370738

SCHEMBL7370738

CCOC(=O)C(Cc1cc(Cl)cc(Cl)c1)NC(=O)CNC(=O)c1cccc(NC2=NCCN2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.61
ITGAV P06756 19/20 0.61
ITGB6 P18564 11/20 0.61
ITGB1 P05556 2/20 0.61
ITGB5 P18084 2/20 0.61
ITGA5 P08648 1/20 0.61
ITGB8 P26012 1/20 0.61
ITGA8 P53708 1/20 0.61
WDR5 P61964 1/20 0.49
ITGA2B P08514 3/20 0.46

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
SCHEMBL7833937 0.95 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6782965 0.89 ITGB3 (0.63) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7823026 0.88 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7836126 0.88 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7824836 0.85 ITGB3 (0.44) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6773624 0.85 ITGB3 (0.66) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7370731 0.84 ITGB3 (0.66) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL8021783 0.84 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7823593 0.84 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7345977 0.83 KMT2A (0.43) 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 5 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-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