SCHEMBL6016183

SCHEMBL6016183

O=C(CCc1ccc(C(=O)NC[C@H](NS(=O)(=O)c2cccc3cccnc23)C(=O)O)s1)NC1=NCCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGA2B P08514 17/20 1.00

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
SCHEMBL6016272 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6832492 0.86 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL6016331 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6016173 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6016197 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6016305 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6016216 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6016211 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6016226 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6016163 0.81 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