SCHEMBL840470

SCHEMBL840470

CC(C)CC(CS)C(=O)NCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.43
AGTR1 P30556 12/20 0.39
MME P08473 11/20 0.39
GAA P10253 1/20 0.36
AGTR2 P50052 1/20 0.35
LPAR1 Q92633 1/20 0.35
ACE P12821 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL841053 0.93 REN (0.42) LTB4R2AGTR1MMEAGTR2
SCHEMBL839252 0.92 AGTR1 (0.41) LTB4R2AGTR1MME
SCHEMBL839949 0.92 AGTR1 (0.41) LTB4R2AGTR1MME
SCHEMBL859394 0.92 AGTR1 (0.41) LTB4R2AGTR1MME
SCHEMBL839269 0.91 AGTR1 (0.40) LTB4R2AGTR1MME
SCHEMBL840125 0.91 AGTR1 (0.45) LTB4R2AGTR1MME
SCHEMBL841346 0.91 AGTR1 (0.45) LTB4R2AGTR1MME
SCHEMBL839870 0.90 AGTR1 (0.40) LTB4R2AGTR1MMEAGTR2LPAR1
SCHEMBL839995 0.89 AGTR1 (0.39) AGTR1MMEGAAMMP8
SCHEMBL840624 0.88 AGTR1 (0.38) AGTR1MMEAGTR2

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