SCHEMBL5178508

SCHEMBL5178508

CC(C)N(CCC(c1ccccc1)c1cc(C=O)ccc1OCc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.51
CHRM1 P11229 3/20 0.51
CHRM5 P08912 2/20 0.44
CHRM3 P20309 2/20 0.44
HRH1 P35367 2/20 0.44
LMNA P02545 2/20 0.44
KCNH2 Q12809 2/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.44
CHRM4 P08173 1/20 0.44
KCNE1 P15382 1/20 0.44
PTGS1 P23219 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNQ1 P51787 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44

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
SCHEMBL4145046 1.00 CHRM2 (0.51) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL27766210 0.93 CHRM2 (0.44) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5179277 0.89 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5179612 0.89 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5179279 0.89 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL6934593 0.87 CHRM2 (0.56) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL6934595 0.87 CHRM2 (0.56) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL13196106 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL19212492 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL19212477 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
CN-100482635-C Noval compounds, their use and preparation PFIZER HEALTH AB (SE) 2009-04-29 CN disclosed
EP-1019358-B2 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PFIZER HEALTH AB (SE) 2007-09-12 EP disclosed
CN-1636967-A Noval compounds, their use and preparation PFIZER (SE) 2005-07-13 CN disclosed
WO-2005012227-A2 PROCESS FOR PREPARATION OF 2-(3-DIISOPROPYLAMINO-1-PHENYLPROPYL)-4-HYDROXYMETHYL-PHENOL, A METABOLITE OF TOLTERODINE RANBAXY LABORATORIES LIMITED (IN) 2005-02-10 WO disclosed
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
CN-1251569-A Novel compounds, their use and process for their preparation PHARMACIA & UPJOHN AB (SE) 2000-04-26 CN disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed