SCHEMBL3638495

SCHEMBL3638495

CCCc1nc2c(C)cc(C(=O)N[C@@H](CSC(=O)[C@@H](N)C(C)(C)C)Cc3ccccc3)cc2n1Cc1cccc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 20/20 0.50
AGTR2 P50052 3/20 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
SCHEMBL4887592 0.88 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL3642042 0.88 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL3639727 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL4883534 0.81 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL4887446 0.81 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL4887596 0.81 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL4883548 0.81 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL3640006 0.80 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL4885198 0.80 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL3640149 0.80 AGTR1 (0.67) 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