SCHEMBL16624092

SCHEMBL16624092

CC(C)N1CCc2cn(CC(F)(F)F)nc2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 3/20 0.38
OGA O60502 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL16624087 0.82 JAK2 (0.35) OGAALDH1A1TSHRHTTHRH3
SCHEMBL18034942 0.81 HDAC9 (0.40) HDAC9ALDH1A1TSHRHTT
SCHEMBL24329407 0.74 AADAT (0.33) HRH3
SCHEMBL19164014 0.74 NAMPT (0.35) HRH3
SCHEMBL17624276 0.74 HDAC9 (0.38) HDAC9
SCHEMBL12691632 0.72 HDAC9 (0.40) HDAC9ALDH1A1TSHRHTT
SCHEMBL19504436 0.71 HDAC9 (0.36) HDAC9
SCHEMBL16624028 0.69 PDE10A (0.40) HDAC9OGAHRH3
SCHEMBL19054638 0.68 JAK2 (0.35) OGA
SCHEMBL12489638 0.65 HTR2C (0.44) HDAC9HTT

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-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO disclosed