SCHEMBL2015541

SCHEMBL2015541

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccc(C(=O)NCC(=O)OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ACSS2 Q9NR19 17/20 0.43
TSHR P16473 1/20 0.41

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
SCHEMBL2020396 0.92 HTT (0.48) HTTACSS2
SCHEMBL12635756 0.90 HTT (0.49) HTTACSS2TSHR
SCHEMBL2020165 0.89 ACSS2 (0.46) HTTACSS2TSHR
SCHEMBL2017836 0.87 HTT (0.46) HTTACSS2
SCHEMBL2021620 0.86 HTT (0.45) HTTACSS2
SCHEMBL2018438 0.85 SCNN1A (0.44) HTTACSS2
SCHEMBL2018304 0.84 HTT (0.40) HTTACSS2TSHR
SCHEMBL12635701 0.84 ACSS2 (0.49) HTTACSS2
SCHEMBL2040435 0.84 HTT (0.45) HTTACSS2TSHR
SCHEMBL2016331 0.84 HTT (0.52) HTTACSS2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed