SCHEMBL7409094

SCHEMBL7409094

CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(OC(C(=O)O)c2ccccc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.51
PDE6D O43924 1/20 0.50

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
SCHEMBL7415157 0.94 AGTR2 (0.52) AGTR2
SCHEMBL7404536 0.94 AGTR2 (0.55) AGTR2
SCHEMBL9756533 0.93 PDE6D (0.49) PDE6D
SCHEMBL7416604 0.92 PDE6D (0.50) PDE6D
SCHEMBL7417768 0.91 PDE6D (0.49) PDE6D
SCHEMBL7412140 0.90 PDE6D (0.45) AGTR2PDE6D
SCHEMBL7404978 0.90 PDE6D (0.53) PDE6D
SCHEMBL9524045 0.90 AGTR2 (0.48) AGTR2
SCHEMBL7412338 0.90 CDC25A (0.47)
SCHEMBL7413279 0.88 AGTR1 (0.57)

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