SCHEMBL3121802

SCHEMBL3121802

Fc1cc(COC2CC[N]CC2)ccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
CTSK P43235 1/20 0.42
P2RX7 Q99572 6/20 0.41
DRD4 P21917 5/20 0.40
SIGMAR1 Q99720 5/20 0.39
TMEM97 Q5BJF2 3/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38

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
SCHEMBL2299321 0.82 DRD4 (0.50) DRD4SIGMAR1TMEM97
SCHEMBL3122265 0.81 KIF11 (0.39) DRD4SIGMAR1TMEM97CARM1PRMT6
SCHEMBL31379708 0.81 SLC6A4 (0.46) NAAACTSKP2RX7
SCHEMBL2299165 0.79 CARM1 (0.56) CARM1PRMT6
SCHEMBL3128435 0.78 SLC6A4 (0.45) DRD4SIGMAR1TMEM97CARM1PRMT6
SCHEMBL2299162 0.77 CARM1 (0.56) DRD4SIGMAR1HCRTR1HCRTR2CARM1
SCHEMBL2300932 0.77 SCN9A (0.42) NAAACTSKP2RX7
SCHEMBL3118087 0.75 SIGMAR1 (0.36) DRD4SIGMAR1TMEM97CARM1PRMT6
SCHEMBL2296456 0.73 CARM1 (0.54) NAAADRD4SIGMAR1TMEM97CARM1
SCHEMBL3126964 0.72 CARM1 (0.55) DRD4SIGMAR1TMEM97CARM1PRMT6

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