SCHEMBL7954484

SCHEMBL7954484

CNC1CC[C@@H](c2ccc(C)c(C)c2)c2ccc(NS(=O)(=O)c3ccccc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.56
SLC6A4 P31645 10/20 0.56
SLC6A3 Q01959 9/20 0.56
PKM P14618 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
ABCB1 P08183 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL3365217 0.87 SLC6A4 (0.76) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7960029 0.84 SLC6A4 (0.59) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7953051 0.80 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL12035612 0.78 MEN1 (0.68) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6951901 0.75 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL12205535 0.75 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7577338 0.74 PKM (0.69) PKMMEN1KMT2ALMNAMAPT
SCHEMBL30343351 0.74 PKM (0.69) PKMMEN1KMT2ALMNAMAPT
SCHEMBL8363313 0.72 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL6246871 0.72 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed