SCHEMBL840212

SCHEMBL840212

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.36
AGTR2 P50052 1/20 0.36
MME P08473 11/20 0.35

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
SCHEMBL840591 0.93 AGTR1 (0.37) AGTR1AGTR2MME
SCHEMBL840037 0.92 MME (0.41) AGTR1AGTR2MME
SCHEMBL840038 0.92 MME (0.41) AGTR1AGTR2MME
SCHEMBL840592 0.89 AGTR1 (0.36) AGTR1AGTR2MME
SCHEMBL840593 0.89 AGTR1 (0.36) AGTR1AGTR2MME
SCHEMBL839970 0.89 AGTR1 (0.42) AGTR1AGTR2MME
SCHEMBL839910 0.89 AGTR1 (0.37) AGTR1AGTR2MME
SCHEMBL839146 0.89 AGTR1 (0.37) AGTR1AGTR2MME
SCHEMBL839145 0.89 AGTR1 (0.37) AGTR1AGTR2MME
SCHEMBL840471 0.87 AGTR1 (0.38) 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