SCHEMBL8236222

SCHEMBL8236222

CC(C)CN1CCC(Oc2cc(F)nc3c(CF)cccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
TLR8 Q9NR97 6/20 0.38
TLR7 Q9NYK1 6/20 0.38
TLR9 Q9NR96 5/20 0.38
DRD4 P21917 3/20 0.38
DRD2 P14416 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.35
SCN1A P35498 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
ERBB2 P04626 1/20 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
SCHEMBL5530528 0.88 HRH3 (0.41) HRH3TLR8TLR7TLR9DRD4
SCHEMBL8238217 0.88 HRH3 (0.38) HRH3
SCHEMBL5529449 0.86 SOS1 (0.41) HRH3TLR8TLR7TLR9DRD4
SCHEMBL8236599 0.86 POLB (0.38) TLR8TLR7TLR9DRD4DRD2
SCHEMBL8235976 0.85 OPRK1 (0.40) HRH3TLR8TLR7TLR9DRD2
SCHEMBL8236219 0.83 HRH3 (0.41) HRH3TLR8TLR7TLR9DRD4
SCHEMBL8231334 0.83 MAPK14 (0.35) DRD4DRD2MEN1KMT2ASCN1A
SCHEMBL8236186 0.83 SCN8A (0.46) SCN1ASCN8A
SCHEMBL8238215 0.83 HRH3 (0.39) HRH3
SCHEMBL8238556 0.83 OPRK1 (0.37) TLR8TLR7TLR9ADORA2ASCN1A

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-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed