SCHEMBL2473559

SCHEMBL2473559

CC(C)N(CC[C@H](c1ccccc1)c1cc(O)ccc1O)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.78
CHRM2 P08172 3/20 0.78
CHRM1 P11229 3/20 0.78
HRH1 P35367 3/20 0.78
LMNA P02545 3/20 0.78
MAPT P10636 3/20 0.78
CHRM5 P08912 2/20 0.78
HTR2A P28223 2/20 0.78
ESR1 P03372 1/20 0.78
CHRM4 P08173 1/20 0.78
KCNE1 P15382 1/20 0.78
PTGS1 P23219 1/20 0.78
HRH2 P25021 1/20 0.78
SLC6A4 P31645 1/20 0.78
ADRA1A P35348 1/20 0.78
OPRK1 P41145 1/20 0.78
KCNQ1 P51787 1/20 0.78
KCNH2 Q12809 1/20 0.78
CACNA1C Q13936 1/20 0.78
SCN5A Q14524 1/20 0.78

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
SCHEMBL2473562 1.00 CHRM3 (0.78) CHRM3CHRM2CHRM1HRH1LMNA
SCHEMBL27514441 0.91 CHRM3 (0.64) CHRM3CHRM2CHRM1HRH1LMNA
SCHEMBL9221429 0.89 CHRM3 (0.65) CHRM3CHRM2CHRM1HRH1LMNA
Tolterodine SCHEMBL820421 0.87 CHRM3 (1.00) CHRM3CHRM2CHRM1HRH1LMNA
Tolterodine SCHEMBL29379290 0.87 CHRM3 (1.00) CHRM3CHRM2CHRM1HRH1LMNA
Tolterodine SCHEMBL3064 0.87 CHRM3 (1.00) CHRM3CHRM2CHRM1HRH1LMNA
SCHEMBL5408822 0.87 CHRM3 (0.64) CHRM3CHRM2CHRM1HRH1LMNA
Tolterodine SCHEMBL29635996 0.87 CHRM3 (1.00) CHRM3CHRM2CHRM1HRH1LMNA
Tolterodine SCHEMBL36882 0.87 CHRM3 (1.00) CHRM3CHRM2CHRM1HRH1LMNA
Tolterodine SCHEMBL580446 0.87 CHRM3 (1.00) CHRM3CHRM2CHRM1HRH1LMNA

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
EP-1230209-B3 STABLE SALTS OF NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES UCB PHARMA GMBH (DE) 2011-10-05 EP disclosed
EP-1690536-A2 Use of r-(+)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxy-methyl-phenylisobutyric acid ester hydrogenfumarate for the treatment of urinary incontinence and other spasmogenic disorders SCHWARZ PHARMA AG (DE) 2006-08-16 EP disclosed
EP-1230209-B1 STABLE SALTS OF NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2005-01-12 EP disclosed
EP-1481964-A1 Stable salts of novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2004-12-01 EP disclosed
EP-1230209-A2 STABLE SALTS OF NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2002-08-14 EP disclosed
WO-2001035957-A1 STABLE SALTS OF NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2001-05-25 WO disclosed