SCHEMBL7823016

SCHEMBL7823016

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC2=NCCN2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGAV P06756 20/20 0.56
ITGB6 P18564 15/20 0.56
ITGB1 P05556 8/20 0.56
ITGB5 P18084 8/20 0.56
ITGA5 P08648 7/20 0.56
ITGB8 P26012 7/20 0.56
ITGA8 P53708 7/20 0.56
ITGA2B P08514 2/20 0.44

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
SCHEMBL6778283 0.89 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7370731 0.89 ITGB3 (0.66) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL16918474 0.87 ITGB3 (0.61) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7823026 0.85 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7832721 0.84 ITGB3 (0.65) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7838264 0.81 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL19090894 0.80 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL19090892 0.80 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6782048 0.79 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL16918574 0.79 ITGB3 (0.66) 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 3 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