SCHEMBL3129985

SCHEMBL3129985

Fc1ccc(COC2CCNCC2)c(F)c1.Fc1ccc(COC2CCNCC2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
SLC6A4 P31645 8/20 0.45
SLC6A2 P23975 8/20 0.45
SLC6A3 Q01959 8/20 0.45
KCNH2 Q12809 2/20 0.45
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
HTR1A P08908 4/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40
HTR4 Q13639 1/20 0.40
NAAA Q02083 1/20 0.39
CYP2D6 P10635 1/20 0.37
GRM2 Q14416 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
SCHEMBL6926360 0.92 SLC6A4 (0.51) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3129989 0.84 GRM2 (0.43) SLC6A4IDO1AGXTHTR1AHTR2A
SCHEMBL14813944 0.78 SLC6A2 (0.45) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL16771120 0.78 SLC6A4 (0.49) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3124811 0.77 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3KCNH2HTR1A
SCHEMBL27246487 0.77 IDO1 (0.51) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL25325640 0.76 SLC6A2 (0.43) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3128370 0.76 SLC6A4 (0.53) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3122107 0.75 IDO1 (0.49) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL19921471 0.74 SLC6A2 (0.57) HTR6SLC6A4SLC6A2SLC6A3KCNH2

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