SCHEMBL7410342

SCHEMBL7410342

CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1cc(CCC)c(OC(C(=O)O)c2ccccc2)c(CCC)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL7419523 0.92 EDNRB (0.52) PDE6D
SCHEMBL7411091 0.92
SCHEMBL7404978 0.90 PDE6D (0.53) PDE6D
SCHEMBL7414792 0.87 AGTR1 (0.54)
SCHEMBL9525475 0.85 PDE6D (0.53) PDE6D
SCHEMBL7418234 0.83 EDNRB (0.52)
SCHEMBL7459144 0.83
SCHEMBL7411417 0.83
SCHEMBL7412140 0.82 PDE6D (0.45) PDE6D
SCHEMBL7416604 0.80 PDE6D (0.50) PDE6D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515546-A4 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-05-12 EP claimed
US-5177095-A Hypotensive agents MERCK & CO., INC. (US) 1993-01-05 US claimed
EP-0515546-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP claimed
EP-0515546-A4 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-05-12 EP disclosed
US-5177095-A Hypotensive agents MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0515546-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
WO-1991011909-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed