SCHEMBL7836752

SCHEMBL7836752

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC2=NCCC2)c1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.43
ITGAV P06756 15/20 0.43
ITGB6 P18564 11/20 0.43
ITGB1 P05556 2/20 0.42
ITGA5 P08648 2/20 0.42
ITGB5 P18084 2/20 0.42
ITGB8 P26012 2/20 0.42
ITGA8 P53708 2/20 0.42
ROCK2 O75116 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SUCNR1 Q9BXA5 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL7341387 0.97 ITGB3 (0.42) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6774888 0.89 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7824830 0.88 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778166 0.86 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL30625724 0.86 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778127 0.86 ITGB3 (0.41) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7823590 0.85 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7345970 0.85 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7838871 0.85 ALDH1A1 (0.40) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7339949 0.83 ROCK2 (0.44) ITGB3ITGAVITGB6ITGB1ITGA5

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