SCHEMBL12720192

SCHEMBL12720192

C=C(OC)C1CNCC(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 2/20 0.34
SLC6A4 P31645 2/20 0.34
RCOR1 Q9UKL0 1/20 0.34
EPHX1 P07099 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
EPHX2 P34913 2/20 0.34
LMNA P02545 1/20 0.33
KAT2B Q92831 1/20 0.33
F2R P25116 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL640912 0.85 HTR2C (0.47) HTR2CL3MBTL1KDM1AEPHX1HRH3
SCHEMBL14744263 0.78 SCN10A (0.44) HTR2CL3MBTL1KDM1ASLC6A4RCOR1
SCHEMBL641471 0.77 POLB (0.49) HTR2CL3MBTL1KDM1ARCOR1EPHX2
SCHEMBL1580354 0.76 HTR2C (0.41) HTR2CL3MBTL1KDM1ARCOR1EPHX1
SCHEMBL23390296 0.73 LIPE (0.52) HTR2CEPHX1EPHX2
SCHEMBL27819225 0.72 HTR2C (0.40) HTR2CL3MBTL1KDM1ASLC6A4RCOR1
Hydrochloric Acid SCHEMBL23390064 0.72 LIPE (0.51) HTR2CEPHX1EPHX2
Hydrochloric Acid SCHEMBL23390063 0.72 LIPE (0.51) HTR2CEPHX1EPHX2
SCHEMBL640587 0.71 HTR2C (0.42) HTR2CEPHX2
SCHEMBL2929269 0.71 EPHX2 (0.44) HTR2CEPHX2

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
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed