SCHEMBL3124123

SCHEMBL3124123

Fc1ccc(C(F)(F)F)cc1COC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
SLC6A4 P31645 7/20 0.44
SLC6A2 P23975 5/20 0.44
SLC6A3 Q01959 4/20 0.44
HTR2C P28335 6/20 0.42
HTR2B P41595 2/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR3A P46098 1/20 0.42
HTR4 Q13639 1/20 0.42
KCNH2 Q12809 1/20 0.39
NAAA Q02083 1/20 0.38
MAPK1 P28482 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL3128370 0.89 SLC6A4 (0.53) IDO1SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL31071586 0.86 IDO1 (0.55) IDO1SLC6A4HTR2CHTR2BHTR2A
SCHEMBL30700754 0.82 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL1782150 0.78 SLC6A4 (0.47) IDO1SLC6A4SLC6A2SLC6A3HTR2C
Trifluoroacetic Acid SCHEMBL30945211 0.78 IDO1 (0.47) IDO1SLC6A4HTR2CHTR2B
SCHEMBL2299635 0.78 CARM1 (0.54) IDO1SLC6A4SLC6A2SLC6A3HTR2C
Hydrochloric Acid SCHEMBL381868 0.77 CARM1 (0.53) IDO1SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL19921471 0.76 SLC6A2 (0.57) IDO1SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL102306 0.76 CARM1 (0.58) IDO1SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL3126567 0.76 TACR1 (0.39) IDO1SLC6A4SLC6A2SLC6A3HTR2C

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