SCHEMBL841569

SCHEMBL841569

CCCCC(=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 9/20 0.43
AGTR2 P50052 8/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
MME P08473 1/20 0.41
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 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
SCHEMBL840307 0.96 AGTR1 (0.41) AGTR1AGTR2LTB4R2MMEALOX5AP
SCHEMBL840963 0.94 AGTR1 (0.43) AGTR1AGTR2LTB4R2MME
SCHEMBL840753 0.89 AGTR1 (0.41) AGTR1AGTR2MMEALOX5APFEN1
SCHEMBL841556 0.89 LTB4R2 (0.42) AGTR1AGTR2LTB4R2MME
SCHEMBL839440 0.86 AGTR1 (0.41) AGTR1AGTR2LTB4R2MMEALOX5AP
SCHEMBL840748 0.86 AGTR1 (0.38) AGTR1AGTR2LTB4R2ALOX5APFEN1
SCHEMBL840749 0.86 AGTR1 (0.38) AGTR1AGTR2LTB4R2ALOX5APFEN1
SCHEMBL839441 0.86 AGTR1 (0.41) AGTR1AGTR2LTB4R2MMEALOX5AP
SCHEMBL839970 0.84 AGTR1 (0.42) AGTR1AGTR2LTB4R2MME
SCHEMBL2967794 0.83 LTB4R2 (0.50) AGTR1AGTR2LTB4R2

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