SCHEMBL6776938

SCHEMBL6776938

N#C/N=C(/N)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.47
ITGAV P06756 9/20 0.47
ITGB1 P05556 7/20 0.47
ITGA5 P08648 7/20 0.47
ITGB5 P18084 2/20 0.47
ITGB6 P18564 2/20 0.47
ITGB8 P26012 2/20 0.47
ITGA8 P53708 2/20 0.47
MDM4 O15151 3/20 0.47
GPR139 Q6DWJ6 7/20 0.47
ITGA2B P08514 4/20 0.47
MDM2 Q00987 4/20 0.47
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
SCHEMBL7346020 1.00 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6776945 1.00 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6775611 0.91 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6775613 0.91 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6783593 0.88 GPR139 (0.42) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6783591 0.88 GPR139 (0.42) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6779632 0.87 GPR139 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6779624 0.87 GPR139 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6776891 0.86 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6776895 0.86 ITGB3 (0.47) 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 6 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-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO 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