SCHEMBL3122000

SCHEMBL3122000

Fc1cc(OC2CNC2)ccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.48
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 3/20 0.47
HTR1A P08908 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
SCHEMBL3121175 0.85 HRH1 (0.45) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL3120075 0.82 EPHX2 (0.40) SLC6A4
SCHEMBL26933620 0.81 SLC7A5 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL26933615 0.81 SLC7A5 (0.41) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL30636316 0.79 SLC7A5 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL2300932 0.79 SCN9A (0.42)
SCHEMBL12175595 0.79 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3
SCHEMBL14956613 0.79 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL30357881 0.79 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3HTR1A
Hydrochloric Acid SCHEMBL30357928 0.77 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3HTR1A

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