SCHEMBL7823593

SCHEMBL7823593

CCOC(=O)C(Cc1cc(Cl)cc(Cl)c1)NC(=O)CNC(=O)c1cccc(NC2=NCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.43
ITGAV P06756 15/20 0.43
ITGB6 P18564 10/20 0.43
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB5 P18084 1/20 0.43
ITGB8 P26012 1/20 0.43
ITGA8 P53708 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CCR2 P41597 1/20 0.38

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
SCHEMBL7345977 0.99 KMT2A (0.43) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7824836 0.98 ITGB3 (0.44) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778020 0.89 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7835830 0.89 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7341395 0.87 MEN1 (0.42) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777155 0.87 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7833937 0.86 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7836758 0.85 NLRP3 (0.41) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7823590 0.84 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7370738 0.84 ITGB3 (0.61) 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