SCHEMBL4669101

SCHEMBL4669101

Clc1ccc(CC(OCCOC(Cc2ccc(Cl)cc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.57
CHRNA4 P43681 2/20 0.57
SLC6A4 P31645 3/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
PPARG P37231 6/20 0.41
PPARA Q07869 6/20 0.41
KLK7 P49862 1/20 0.40
SCN4A P35499 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC22A1 O15245 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL4669099 0.93 CHRNB2 (0.49) CHRNB2CHRNA4SLC6A4IDO1TDO2
SCHEMBL10974760 0.92 CHRNB2 (0.53) CHRNB2CHRNA4SLC6A4IDO1TDO2
SCHEMBL10965877 0.89 CHRNB2 (0.50) CHRNB2CHRNA4SLC6A4IDO1TDO2
SCHEMBL10970136 0.80 SIGMAR1 (0.60) SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4
SCHEMBL10966025 0.78 SIGMAR1 (0.51) SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4
SCHEMBL4057687 0.77 ADRA1A (0.55) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL4064512 0.77 ADRA1A (0.55) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL7962794 0.76 SLC6A4 (0.39) CHRNB2CHRNA4SLC6A4SLC6A2SLC6A3
SCHEMBL11953999 0.76 CHRNB2 (0.42) CHRNB2CHRNA4SLC6A4SLC6A2SLC6A3
SCHEMBL6688655 0.74 HRH1 (0.44) CHRNB2CHRNA4

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
EP-1930308-A1 Pharmaceutical agents for the treatment of cerebral amyloidosis NYMOX CORPORATION (CA) 2008-06-11 EP disclosed