SCHEMBL3131468

SCHEMBL3131468

Fc1c(COC2CCNCC2)cccc1C(F)(F)F.Fc1cc(COC2CCNCC2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.47
SLC6A4 P31645 15/20 0.47
SLC6A3 Q01959 6/20 0.47
HTR2C P28335 2/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR3A P46098 1/20 0.47
HTR4 Q13639 1/20 0.47
KCNH2 Q12809 4/20 0.41
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
HTR6 P50406 1/20 0.37
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3131473 0.87 CARM1 (0.44) CARM1PRMT6DRD4DRD3TMEM97
SCHEMBL3122974 0.79 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL3117949 0.77 CARM1 (0.56) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL3124811 0.76 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL2302468 0.74 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL3122265 0.74 KIF11 (0.39) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL102306 0.72 CARM1 (0.58) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL3126567 0.71 TACR1 (0.39) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL15000820 0.71 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL19921515 0.70 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3HTR2CHTR2A

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