SCHEMBL3116258

SCHEMBL3116258

Fc1cc(F)cc(COC2CC[N]CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 1/20 0.39
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
TACR1 P25103 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
FAAH O00519 2/20 0.38
MGLL Q99685 1/20 0.38
DRD4 P21917 4/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
HTR4 Q13639 1/20 0.33
SIGMAR1 Q99720 4/20 0.33
TMEM97 Q5BJF2 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
SCHEMBL3118087 0.84 SIGMAR1 (0.36) SLC6A2SLC6A4SLC6A3KCNH2CARM1
SCHEMBL3126964 0.83 CARM1 (0.55) IDO1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3116276 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KCNH2FAAH
SCHEMBL19921484 0.79 SLC6A2 (0.56) IDO1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL12078032 0.79 IDO1 (0.42) IDO1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2299321 0.78 DRD4 (0.50) SLC6A2SLC6A4SLC6A3KCNH2DRD4
SCHEMBL3128934 0.77 RIPK1 (0.36) SLC6A2SLC6A4SLC6A3KCNH2CARM1
SCHEMBL2300380 0.74 OPRM1 (0.51) IDO1SLC6A2SLC6A4SLC6A3CARM1
SCHEMBL3126431 0.74 HTR1A (0.37) SLC6A4CARM1PRMT6DRD4HTR2A
SCHEMBL31381241 0.73 DGAT1 (0.43) IDO1SLC6A2SLC6A4SLC6A3KCNH2

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 2 patents. 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 claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed