SCHEMBL840167

SCHEMBL840167

CC(C)CC(CS)C(=O)NCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)NC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 5/20 0.39
MME P08473 10/20 0.36
AGTR1 P30556 10/20 0.36
CYP3A4 P08684 1/20 0.35
GHSR Q92847 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL839718 0.90 BACE1 (0.35) MMEAGTR1SMN1; SMN2
SCHEMBL839522 0.90 AGTR1 (0.38) MMEAGTR1
SCHEMBL839993 0.88 SLC6A4 (0.37) MMEAGTR1
SCHEMBL839172 0.88 AGTR1 (0.37) MMEAGTR1MEN1KMT2A
SCHEMBL840844 0.88 AGTR1 (0.41) MMEAGTR1
SCHEMBL841570 0.88 SLC6A4 (0.42) MMEAGTR1
SCHEMBL840456 0.87 AGTR1 (0.41) MMEAGTR1
SCHEMBL839257 0.87 AGTR1 (0.37) MMEAGTR1
SCHEMBL839995 0.87 AGTR1 (0.39) MMEAGTR1ALDH1A1TSHRMEN1
SCHEMBL841048 0.87 HDAC1 (0.40) MMEAGTR1ALDH1A1NPSR1

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