SCHEMBL8235688

SCHEMBL8235688

CC(C)(C)N1CCC(Oc2ccnc3c(CF)cccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.39
HCRTR2 O43614 4/20 0.36
HCRTR1 O43613 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8238856 0.87 AR (0.38) ARHCRTR2HCRTR1
SCHEMBL8235753 0.84 HRH3 (0.41) ARCYP3A4
SCHEMBL5521993 0.84 NCF1 (0.46) ARCYP3A4
SCHEMBL8237836 0.84 AR (0.40) ARHCRTR2HCRTR1
SCHEMBL5529940 0.84 AR (0.40) AR
SCHEMBL8231334 0.83 MAPK14 (0.35)
SCHEMBL8236219 0.83 HRH3 (0.41) ARHCRTR2HCRTR1
SCHEMBL8238871 0.80 NAMPT (0.37) ARHCRTR2HCRTR1
SCHEMBL8230091 0.80 SCN8A (0.43)
SCHEMBL8238855 0.80 AR (0.38) ARHCRTR2HCRTR1CYP3A4CYP2C9

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