SCHEMBL840307

SCHEMBL840307

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.41
MME P08473 1/20 0.41
AGTR2 P50052 5/20 0.40
ALOX5AP P20292 4/20 0.39
FEN1 P39748 4/20 0.39
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL841569 0.96 AGTR1 (0.43) AGTR1MMEAGTR2ALOX5APFEN1
SCHEMBL840753 0.94 AGTR1 (0.41) AGTR1MMEAGTR2ALOX5APFEN1
SCHEMBL840749 0.91 AGTR1 (0.38) AGTR1AGTR2ALOX5APFEN1LTB4R2
SCHEMBL840748 0.91 AGTR1 (0.38) AGTR1AGTR2ALOX5APFEN1LTB4R2
SCHEMBL839440 0.91 AGTR1 (0.41) AGTR1MMEAGTR2ALOX5APFEN1
SCHEMBL839441 0.91 AGTR1 (0.41) AGTR1MMEAGTR2ALOX5APFEN1
SCHEMBL840963 0.89 AGTR1 (0.43) AGTR1MMEAGTR2LTB4R2
SCHEMBL839970 0.89 AGTR1 (0.42) AGTR1MMEAGTR2LTB4R2
SCHEMBL841635 0.87 AGTR1 (0.38) AGTR1AGTR2ALOX5APFEN1LTB4R2
SCHEMBL841636 0.87 AGTR1 (0.38) AGTR1AGTR2ALOX5APFEN1LTB4R2

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