SCHEMBL3122206

SCHEMBL3122206

Cc1cc(C2CCNCC2)ccc1C#N.FC(F)(F)c1ccccc1C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.61
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
AR P10275 5/20 0.40
SOS1 Q07889 1/20 0.39

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
SCHEMBL28779325 0.83 HTR2C (0.51) HTR2C
Hydrochloric Acid SCHEMBL27608596 0.81 HTR2C (0.53) HTR2C
SCHEMBL30228461 0.78 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL613612 0.78 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30853595 0.77 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL307161 0.77 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30228395 0.76 HTR2C (0.56) HTR2CSOS1
SCHEMBL3128027 0.75 AR (0.50) HTR2CAR
Hydrochloric Acid SCHEMBL4890973 0.75 HTR2C (0.57) HTR2CSOS1
SCHEMBL30228726 0.73 HTR2C (0.56) HTR2CSOS1

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