SCHEMBL3126567

SCHEMBL3126567

FC(F)(F)c1ccc(COC2CCNCC2)c(C(F)(F)F)c1.Fc1cc(COC2CCNCC2)cc(F)c1F.Fc1cc(F)c(COC2CCNCC2)cc1F.Fc1ccccc1COC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.39
SLC6A4 P31645 7/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A3 Q01959 4/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38
NAAA Q02083 1/20 0.37
HTR1A P08908 1/20 0.35
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
IDO1 P14902 1/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33

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 0.78 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL3124123 0.76 IDO1 (0.52) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL19921471 0.73 SLC6A2 (0.57) TACR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL3117949 0.72 CARM1 (0.56) TACR1SLC6A4SLC6A2SLC6A3HTR2A
Hydrochloric Acid SCHEMBL1476112 0.72 SLC6A2 (0.56) TACR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL3131468 0.71 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL31071548 0.69 SLC6A4 (0.60) TACR1SLC6A4HTR2CHTR2BNAAA
SCHEMBL30700754 0.68 SLC6A4 (0.46) TACR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL102306 0.68 CARM1 (0.58) TACR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL22283732 0.68 IDO1 (0.56) SLC6A4SLC6A2SLC6A3NAAAHTR1A

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