SCHEMBL840591

SCHEMBL840591

CCCC(=O)N(CCNC(=O)[C@@H](CS)CC(C)C)Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)[C@H](C)O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.37
AGTR2 P50052 2/20 0.37
MME P08473 11/20 0.34

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
SCHEMBL839910 0.96 AGTR1 (0.37) AGTR1AGTR2MME
SCHEMBL840212 0.93 AGTR1 (0.36) AGTR1AGTR2MME
SCHEMBL839142 0.93 MME (0.40) AGTR1AGTR2MME
SCHEMBL839141 0.93 MME (0.40) AGTR1AGTR2MME
SCHEMBL838701 0.90 AGTR1 (0.36) AGTR1AGTR2MME
SCHEMBL838700 0.90 AGTR1 (0.36) AGTR1AGTR2MME
SCHEMBL839968 0.90 AGTR1 (0.38) AGTR1AGTR2MME
SCHEMBL839967 0.90 AGTR1 (0.38) AGTR1AGTR2MME
SCHEMBL839509 0.89 AGTR1 (0.43) AGTR1AGTR2MME
SCHEMBL839805 0.88 AGTR1 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 US disclosed