SCHEMBL14744863

SCHEMBL14744863

CCc1cc(C(=O)OC(=O)C(F)(F)F)c(=O)[nH]c1-c1ccc(N2C[C@H]3CCN(C)[C@H]3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
WDR5 P61964 3/20 0.33
KCNH2 Q12809 1/20 0.32
CHRNA7 P36544 1/20 0.31
MAPT P10636 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
Trifluoroacetic Acid SCHEMBL14744859 0.87 HRH3 (0.42) HRH3CTSKCTSCWDR5KCNH2
SCHEMBL14745349 0.87 ADK (0.38)
SCHEMBL16567885 0.86 HRH3 (0.46) HRH3CTSKCTSCWDR5KCNH2
SCHEMBL14745507 0.86 PIK3CA (0.31) WDR5KCNH2
SCHEMBL14745082 0.83 CACNA1B (0.35) KCNH2
SCHEMBL14745237 0.83 CACNA1B (0.35) KCNH2
SCHEMBL14745545 0.83 PDE3B (0.32)
SCHEMBL14745225 0.83 PRKD3 (0.44) HRH3KCNH2MAPT
SCHEMBL17595147 0.82 CACNA1B (0.33)
SCHEMBL17594910 0.82 CACNA1B (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed