SCHEMBL3721172

SCHEMBL3721172

CC[C@H](c1cccc(N(C(C)C)C(C)C)c1)c1cc(C)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

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

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
SCHEMBL4412379 1.00 CHRM1 (0.54) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL2167352 0.85 CHRM3 (0.38) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL7752284 0.85 CHRM3 (0.38) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL722593 0.85 CHRM3 (0.38) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL10388453 0.84 CHRM1 (0.55) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL27908394 0.84 CHRM1 (0.54) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL6473873 0.84 HSP90AA1 (0.41) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL4189998 0.83 MAPT (0.38) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL2431819 0.83 ALDH1A1 (0.40) CHRM1MAPTLMNACHRM2CHRM5
SCHEMBL7758295 0.81 BCHE (0.38) CHRM1MAPTLMNACHRM2CHRM5

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 7 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 claimed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
EP-2398765-A1 IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF Pharmathen S.A. (GR) 2011-12-28 EP disclosed
WO-2010094292-A1 IMPROVED PROCESS FOR THE PREPARATION OF (R)-2-(3-DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4METHYLPHENOL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2010-08-26 WO disclosed
EP-1490090-A4 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PHARMACEUTICALS INC (US) 2006-09-20 EP disclosed
EP-1490090-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS New River Pharmaceuticals Inc. (US) 2004-12-29 EP disclosed
WO-2003079972-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PARMACEUTICALS INC. (US) 2003-10-02 WO disclosed