SCHEMBL3124331

SCHEMBL3124331

Fc1ccc(OC(F)(F)F)cc1OC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A3 Q01959 2/20 0.50
PIM1 P11309 1/20 0.43
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
HRH1 P35367 2/20 0.41
SLC6A4 P31645 3/20 0.41
EPHX1 P07099 1/20 0.40

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
SCHEMBL12175733 0.89 HTR1A (0.47) HTR1ASLC6A2SLC6A3PIM1HTR2C
SCHEMBL2302295 0.89 HTR1A (0.47) HTR1ASLC6A2SLC6A3PIM1HTR2C
SCHEMBL3121175 0.80 HRH1 (0.45) HTR1ASLC6A2SLC6A3HTR2CHTR2B
SCHEMBL1673897 0.80 HRH1 (0.59) PIM1HTR2CHRH1EPHX1
SCHEMBL1231184 0.79 SLC6A2 (0.52) HTR1ASLC6A2SLC6A3HTR2CHTR2B
SCHEMBL83203 0.79 SLC6A2 (0.62) HTR1ASLC6A2SLC6A3HTR2CHTR2B
SCHEMBL941224 0.78 HRH1 (0.57) HTR1ASLC6A2SLC6A3PIM1HRH1
SCHEMBL29995496 0.78 HRH1 (0.57) HTR1ASLC6A2SLC6A3PIM1HRH1
Hydrochloric Acid SCHEMBL69817 0.77 HTR1A (0.60) HTR1ASLC6A2SLC6A3HTR2CHTR2B
Potassium Ion SCHEMBL3634494 0.77 HRH1 (0.56) PIM1HTR2CHRH1EPHX1

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed