SCHEMBL5046280

SCHEMBL5046280

CC(C)(N)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2A P28223 4/20 0.48
HRH1 P35367 5/20 0.44
SLC6A3 Q01959 2/20 0.44
CACNA1F O60840 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
CACNA1D Q01668 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
GRM2 Q14416 2/20 0.42
GRM3 Q14832 2/20 0.42
RIPK1 Q13546 2/20 0.42

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
Bromide SCHEMBL29799767 0.98 TAAR1 (0.46) TAAR1SLC6A2HTR2AHRH1SLC6A3
SCHEMBL11567463 0.88 HTR2A (0.58) TAAR1SLC6A2HTR2AHRH1SLC6A3
SCHEMBL21322418 0.82 TAAR1 (0.56) TAAR1SLC6A2HTR2AHRH1SLC6A3
SCHEMBL3640369 0.82 SLC6A2 (0.45) TAAR1SLC6A2DPP4
SCHEMBL19261570 0.80 TAAR1 (0.43) TAAR1SLC6A2HTR2AHRH1SLC6A3
SCHEMBL3746491 0.80 RIPK1 (0.55) TAAR1SLC6A2SLC6A3RIPK1SLC6A4
SCHEMBL15691204 0.80 TAAR1 (0.43) TAAR1SLC6A2HTR2AHRH1SLC6A3
SCHEMBL8027464 0.80 RIPK1 (0.55) TAAR1SLC6A2SLC6A3RIPK1SLC6A4
SCHEMBL5079703 0.80 HRH1 (0.52) TAAR1HTR2AHRH1SLC6A3CACNA1F
SCHEMBL19711893 0.80 TAAR1 (0.39) TAAR1SLC6A2HTR2AHRH1SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419646-B2 Method of deacidizing a gas with a fractional regeneration absorbent solution INSTITUT FRANCAIS DU PETROLE (FR) 2008-09-02 US disclosed
US-20070286783-A1 METHOD OF DEACIDIZING A GASEOUS EFFLUENT WITH EXTRACTION OF THE PRODUCTS TO BE REGENERATED CARRETTE PIERRE-LOUIS 2007-12-13 US disclosed
US-20060104877-A1 Method of deacidizing a gas with a fractional regeneration absorbent solution INSTITUT FRANCAIS DE PETROLE (FR) 2006-05-18 US disclosed