SCHEMBL13070032

SCHEMBL13070032

C[C@H]1CC(c2ccc(OC(F)(F)F)cc2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HTR2C P28335 3/20 0.41
P2RY14 Q15391 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
GRIN2B Q13224 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
PLG P00747 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL18618469 0.81 KDM1A (0.44) HTR2CKDM1APLGMEN1KMT2A
SCHEMBL30228493 0.81 HTR2C (0.64) L3MBTL1HTR2CP2RY14KDM1APLG
SCHEMBL23858275 0.81 HTR2C (0.64) L3MBTL1HTR2CP2RY14KDM1APLG
Hydrochloric Acid SCHEMBL4891806 0.80 HTR2C (0.65) L3MBTL1HTR2CP2RY14PLG
Hydrochloric Acid SCHEMBL4891821 0.80 HTR2C (0.65) L3MBTL1HTR2CP2RY14PLG
Hydrochloric Acid SCHEMBL4891832 0.80 HTR2C (0.65) L3MBTL1HTR2CP2RY14PLG
SCHEMBL2298335 0.79 HTR2C (0.61) L3MBTL1HTR2CP2RY14NISCHEPHX1
Hydrochloric Acid SCHEMBL4893644 0.78 HTR2C (0.62) L3MBTL1HTR2CP2RY14KDM1ARCOR1
SCHEMBL9176241 0.77 L3MBTL1 (0.46) L3MBTL1HRH3KDM1ARCOR1GRIN2B
SCHEMBL25307338 0.76 HTR3A (0.54) HTR2CEPHX1SCN10A

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
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed