SCHEMBL839522

SCHEMBL839522

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.38
MME P08473 11/20 0.38
PTGES O14684 6/20 0.36
MCHR1 Q99705 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
SCHEMBL840242 0.93 AGTR1 (0.38) AGTR1MME
SCHEMBL840844 0.92 AGTR1 (0.41) AGTR1MME
SCHEMBL840456 0.91 AGTR1 (0.41) AGTR1MMEPTGES
SCHEMBL839995 0.91 AGTR1 (0.39) AGTR1MME
SCHEMBL841048 0.91 HDAC1 (0.40) AGTR1MME
SCHEMBL840597 0.90 AGTR1 (0.43) AGTR1MME
SCHEMBL839870 0.90 AGTR1 (0.40) AGTR1MME
SCHEMBL839269 0.90 AGTR1 (0.40) AGTR1MME
SCHEMBL840167 0.90 MLNR (0.39) AGTR1MME
SCHEMBL841279 0.89 AGTR1 (0.42) AGTR1MME

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