SCHEMBL7414792

SCHEMBL7414792

CCCCc1nnc(SCc2ccccc2C(=O)O)n1Cc1cc(CCC)c(OC(C(=O)O)c2ccccc2)c(CCC)c1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.54

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
SCHEMBL9756606 0.91 AGTR1 (0.55) AGTR1
SCHEMBL7419746 0.88 AGTR1 (0.60) AGTR1
SCHEMBL7411091 0.88
SCHEMBL7410342 0.87 PDE6D (0.46)
SCHEMBL7418584 0.82 AGTR1 (0.53) AGTR1
SCHEMBL7406155 0.79 AGTR1 (0.57) AGTR1
SCHEMBL7418234 0.79 EDNRB (0.52)
SCHEMBL7413279 0.79 AGTR1 (0.57) AGTR1
SCHEMBL7419523 0.79 EDNRB (0.52)
SCHEMBL9528806 0.77 AGTR1 (0.51) AGTR1

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-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