SCHEMBL839172

SCHEMBL839172

CC(C)CC(CS)C(=O)NCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.37
MME P08473 12/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AGTR2 P50052 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL841065 0.91 MEN1 (0.39) AGTR1MEN1KMT2AAGTR2GAA
SCHEMBL839507 0.91 MEN1 (0.39) AGTR1MEN1KMT2AAGTR2GAA
SCHEMBL839095 0.90 MEN1 (0.41) AGTR1MMEMEN1KMT2AGAA
SCHEMBL839269 0.90 AGTR1 (0.40) AGTR1MME
SCHEMBL839257 0.89 AGTR1 (0.37) AGTR1MMEAGTR2
SCHEMBL841047 0.89 MMP8 (0.41) MEN1KMT2A
SCHEMBL839870 0.88 AGTR1 (0.40) AGTR1MMEAGTR2
SCHEMBL839993 0.88 SLC6A4 (0.37) AGTR1MME
SCHEMBL840167 0.88 MLNR (0.39) AGTR1MMEMEN1KMT2A
SCHEMBL840951 0.88 AGTR1 (0.40) 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