SCHEMBL6776873

SCHEMBL6776873

C#CCC(NC(=O)CNC(=O)c1cccc(NC2=NCCCCC2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 14/20 0.43
ITGAV P06756 14/20 0.43
ITGB6 P18564 11/20 0.43
HPGD P15428 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGB5 P18084 2/20 0.39
ITGA5 P08648 1/20 0.39
ITGB8 P26012 1/20 0.39
ITGA8 P53708 1/20 0.39
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7347497 0.85 ITGB3 (0.48) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL7835830 0.83 ITGB3 (0.47) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL6778020 0.82 ITGB3 (0.48) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL6778181 0.82 GPR132 (0.45) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL6780175 0.81 HSD17B10 (0.45) MEN1KMT2AHPGDITGB1ALDH1A1
SCHEMBL6776905 0.80 ITGB3 (0.53) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL7833296 0.80 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7341703 0.80 KMT2A (0.50) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL6777155 0.80 ITGB3 (0.48) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL7843541 0.78 MEN1 (0.40) MEN1KMT2AITGB3ITGAVITGB6

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