SCHEMBL3634585

SCHEMBL3634585

CCCc1nc2c(C)cc(C(=O)N[C@@H](CSC(=O)c3cccnc3)CC(C)C)cc2n1Cc1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 20/20 0.54
AGTR2 P50052 5/20 0.51

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
SCHEMBL4887568 0.91 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL4887552 0.91 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL3634591 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL3634588 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL3668946 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL3640438 0.86 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL3636140 0.85 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL3636147 0.85 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL3639933 0.84 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL3669380 0.83 AGTR1 (0.69) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162442-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-03-17 EP disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed