SCHEMBL840963

SCHEMBL840963

CCCCC(=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 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.43
AGTR2 P50052 7/20 0.43
LTB4R2 Q9NPC1 1/20 0.41
MME P08473 1/20 0.40

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
SCHEMBL840753 0.96 AGTR1 (0.41) AGTR1AGTR2MME
SCHEMBL841569 0.94 AGTR1 (0.43) AGTR1AGTR2LTB4R2MME
SCHEMBL840307 0.89 AGTR1 (0.41) AGTR1AGTR2LTB4R2MME
SCHEMBL840866 0.89 AGTR1 (0.43) AGTR1AGTR2LTB4R2MME
SCHEMBL841183 0.88 AGTR1 (0.42) AGTR1AGTR2LTB4R2MME
SCHEMBL839650 0.88 AGTR1 (0.38) AGTR1AGTR2LTB4R2
SCHEMBL841184 0.88 AGTR1 (0.42) AGTR1AGTR2LTB4R2MME
SCHEMBL2966088 0.86 LTB4R2 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL839509 0.85 AGTR1 (0.43) AGTR1AGTR2LTB4R2MME
SCHEMBL840970 0.84 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