SCHEMBL840753

SCHEMBL840753

CCCC(=O)N(CCNC(=O)[C@@H](CS)CC(C)C)Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)[C@H](C)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.41
MME P08473 1/20 0.41
AGTR2 P50052 6/20 0.40
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37

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
SCHEMBL840963 0.96 AGTR1 (0.43) AGTR1MMEAGTR2
SCHEMBL840307 0.94 AGTR1 (0.41) AGTR1MMEAGTR2ALOX5APFEN1
SCHEMBL839650 0.92 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL841184 0.92 AGTR1 (0.42) AGTR1MMEAGTR2
SCHEMBL841183 0.92 AGTR1 (0.42) AGTR1MMEAGTR2
SCHEMBL841569 0.89 AGTR1 (0.43) AGTR1MMEAGTR2ALOX5APFEN1
SCHEMBL839509 0.89 AGTR1 (0.43) AGTR1MMEAGTR2
SCHEMBL840970 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL840969 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL840033 0.88 AGTR1 (0.40) AGTR1AGTR2ALOX5APFEN1

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