SCHEMBL3116276

SCHEMBL3116276

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
EPHX2 P34913 4/20 0.32
HTR1A P08908 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL3128934 0.82 RIPK1 (0.36) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL3116258 0.81 IDO1 (0.42) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL3124006 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL3122107 0.79 IDO1 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL3126134 0.78 EPHX2 (0.33) EPHX2
SCHEMBL3126431 0.76 HTR1A (0.37) SLC6A4HTR1A
SCHEMBL3118087 0.76 SIGMAR1 (0.36) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22283619 0.74 MMP1 (0.33) SLC6A2SLC6A4SLC6A3KCNH2EPHX2
SCHEMBL22283623 0.74 MMP1 (0.33) SLC6A2SLC6A4SLC6A3KCNH2EPHX2
SCHEMBL2299321 0.73 DRD4 (0.50) SLC6A2SLC6A4SLC6A3KCNH2

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