SCHEMBL6774572

SCHEMBL6774572

N=C(N)Nc1cc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.47
ITGA2B P08514 3/20 0.47
GPR139 Q6DWJ6 5/20 0.44
ITGAV P06756 8/20 0.44
ITGB6 P18564 7/20 0.43
ITGB1 P05556 6/20 0.43
ITGA5 P08648 6/20 0.43
ITGB5 P18084 6/20 0.43
ITGB8 P26012 6/20 0.43
ITGA8 P53708 6/20 0.43
SLC6A9 P48067 2/20 0.40
SLC6A5 Q9Y345 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
F7 P08709 1/20 0.39

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
SCHEMBL6779270 0.91 ITGB3 (0.56) ITGB3ITGA2BGPR139ITGAVITGB6
SCHEMBL6778040 0.87 GPR139 (0.41) ITGB3ITGA2BGPR139MEN1KMT2A
SCHEMBL6784179 0.87 ITGB3 (0.47) ITGB3ITGA2BGPR139ITGAVITGB6
SCHEMBL244261 0.85 ITGB3 (0.50) ITGB3ITGA2BGPR139ITGAVITGB6
SCHEMBL6774582 0.85 ITGB3 (0.43) ITGB3ITGA2BGPR139ITGAVITGB6
SCHEMBL6778078 0.84 ITGB3 (0.45) ITGB3ITGA2BGPR139ITGAVITGB6
SCHEMBL6773611 0.83 ITGB3 (0.46) ITGB3ITGA2BGPR139ITGAVITGB6
SCHEMBL7833135 0.82 ITGB3 (0.46) ITGB3ITGA2BGPR139ITGAVITGB6
SCHEMBL6778874 0.81 ITGB3 (0.51) ITGB3ITGA2BGPR139ITGAVITGB1
SCHEMBL6773907 0.81 ITGB3 (0.53) ITGB3ITGA2BGPR139ITGAVITGB6

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