SCHEMBL2498772

SCHEMBL2498772

CC(C)N(CCC(c1ccccc1)c1[c]cccc1CO)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.46
CHRM2 P08172 5/20 0.46
CHRM1 P11229 4/20 0.46
HRH1 P35367 4/20 0.46
HTR2A P28223 3/20 0.46
CHRM5 P08912 2/20 0.46
SLC6A4 P31645 2/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
CHRM4 P08173 1/20 0.46
MAPT P10636 1/20 0.46
KCNE1 P15382 1/20 0.46
PTGS1 P23219 1/20 0.46
HRH2 P25021 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46

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
SCHEMBL3927212 0.80 CHRM3 (0.57) CHRM3CHRM2CHRM1HRH1HTR2A
Hydrochloric Acid SCHEMBL5180488 0.79 CHRM3 (0.56) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL12986836 0.76 CHRM3 (0.52) CHRM3CHRM2CHRM1HRH1HTR2A
Diisopromine SCHEMBL25648 0.75 HRH1 (0.63) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL2493964 0.75 CHRM2 (0.53) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL2478598 0.75 CHRM2 (0.53) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL2493966 0.75 CHRM2 (0.53) CHRM3CHRM2CHRM1HRH1HTR2A
Diisopromine SCHEMBL11582569 0.74 HRH1 (0.61) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL6939192 0.68 CHRM3 (0.72) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL4664069 0.68 CHRM3 (0.72) CHRM3CHRM2CHRM1HRH1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230209-B3 STABLE SALTS OF NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES UCB PHARMA GMBH (DE) 2011-10-05 EP claimed
EP-1230209-B1 STABLE SALTS OF NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2005-01-12 EP claimed