SCHEMBL6016325

SCHEMBL6016325

COC(=O)N([C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(=O)OC(C)C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 20/20 0.61
ITGA2B P08514 17/20 0.61

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
SCHEMBL6016422 0.93 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL6016149 0.91 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL3366589 0.87 ITGB3 (0.45) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL3366043 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2B
Acetic Acid SCHEMBL3369125 0.85 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL6016329 0.82 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL6016326 0.82 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL6016254 0.76 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL6016423 0.76 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL6016177 0.76 ITGB3 (1.00) ITGB3ITGAVITGA2B

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-1086098-B1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2006-04-05 EP disclosed
US-6660728-B2 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-09 US disclosed
US-6566366-B1 For therapy of tumor growth, osteoporosis, inflammation and cardiovascular disorders AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-20 US disclosed
EP-1086098-A1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2001-03-28 EP disclosed
EP-0960882-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists Hoechst Marion Roussel Deutschland GmbH (DE) 1999-12-01 EP disclosed
WO-1999059992-A1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 WO disclosed