SCHEMBL6778201

SCHEMBL6778201

N=C(N)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cccc3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.52
ITGAV P06756 16/20 0.52
ITGB1 P05556 5/20 0.51
ITGA5 P08648 5/20 0.51
MDM2 Q00987 2/20 0.51
MDM4 O15151 1/20 0.51
ITGB6 P18564 11/20 0.48
ITGB5 P18084 3/20 0.48
ITGB8 P26012 3/20 0.48
ITGA8 P53708 3/20 0.48
ITGA2B P08514 4/20 0.47

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
SCHEMBL6782067 0.90 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL6776952 0.90 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL7835946 0.88 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL242674 0.87 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL7835413 0.87 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL7834572 0.87 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL6777688 0.86 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL6776850 0.86 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL6777182 0.85 RXFP1 (0.52) ITGB3ITGAVITGB1ITGA5MDM2
SCHEMBL6778768 0.84 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5ITGB6

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