SCHEMBL27563199

SCHEMBL27563199

CC(C)C(=O)OCc1ccc(O)c(C(CCCCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.54
CHRM1 P11229 3/20 0.54
CHRM3 P20309 12/20 0.53
CHRM5 P08912 2/20 0.53
HRH1 P35367 2/20 0.53
LMNA P02545 1/20 0.53
ESR1 P03372 1/20 0.53
CHRM4 P08173 1/20 0.53
MAPT P10636 1/20 0.53
KCNE1 P15382 1/20 0.53
PTGS1 P23219 1/20 0.53
HRH2 P25021 1/20 0.53
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRK1 P41145 1/20 0.53
KCNQ1 P51787 1/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN5A Q14524 1/20 0.53

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
SCHEMBL9922432 0.93 CHRM2 (0.62) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL2166483 0.93 CHRM2 (0.62) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL27491763 0.90 CHRM3 (0.51) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL27491764 0.89 CHRM3 (0.50) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL27508032 0.87 CHRM3 (0.57) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL27491770 0.86 CHRM2 (0.58) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL27505251 0.85 CHRM3 (0.55) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL5178337 0.84 CHRM3 (0.61) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL11295361 0.84 CHRM3 (0.62) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL8432689 0.84 CHRM3 (0.62) CHRM2CHRM1CHRM3CHRM5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1207268-C 3, 3-diphenylpropylamine derivatives SANOL ARZNEI SCHWARZ GMBH (DE) 2005-06-22 CN claimed
CN-1354737-A Novel 3, 3-diphenylpropylamine derivatives SANOL ARZNEI SCHWARZ GMBH (DE) 2002-06-19 CN claimed
CN-100491336-C Novel derivatives of 3,3-diphenylpropylamines SANOL ARZNEI SCHWARZ GMBH (DE) 2009-05-27 CN disclosed
CN-1690041-A Novel derivatives of 3,3-diphenylpropylamines SANOL ARZNEI SCHWARZ GMBH (DE) 2005-11-02 CN disclosed
CN-1207268-C 3, 3-diphenylpropylamine derivatives SANOL ARZNEI SCHWARZ GMBH (DE) 2005-06-22 CN disclosed
CN-1354737-A Novel 3, 3-diphenylpropylamine derivatives SANOL ARZNEI SCHWARZ GMBH (DE) 2002-06-19 CN disclosed