SCHEMBL6777796

SCHEMBL6777796

CCOC(=O)/N=C(\NC(=O)OCC)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.46
ITGAV P06756 16/20 0.46
ITGB6 P18564 10/20 0.46
ITGB1 P05556 3/20 0.46
ITGA5 P08648 3/20 0.46
ITGB5 P18084 3/20 0.46
ITGB8 P26012 3/20 0.46
ITGA8 P53708 3/20 0.46
GPR139 Q6DWJ6 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6777799 1.00 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777366 0.90 GPR139 (0.38) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777365 0.90 GPR139 (0.38) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778722 0.87 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773203 0.87 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7832173 0.86 ITGB1 (0.45) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6779042 0.82 ITGB1 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7824431 0.82 ITGB1 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778725 0.82 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777367 0.82 MAPT (0.42) ITGB3ITGAVITGB1ITGA5ITGB5

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 4 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
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