SCHEMBL3694972

SCHEMBL3694972

CCC(=O)OCc1ccc(OC(=O)CC)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.68
CHRM1 P11229 3/20 0.68
CHRM3 P20309 7/20 0.45
MAPT P10636 3/20 0.45
CHRM5 P08912 2/20 0.45
HRH1 P35367 2/20 0.45
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
CHRM4 P08173 1/20 0.45
KCNE1 P15382 1/20 0.45
PTGS1 P23219 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL2167408 0.90 CHRM2 (0.66) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL16174328 0.89 CHRM2 (0.80) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL3686607 0.89 CHRM2 (0.80) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL7558351 0.88 CHRM3 (0.60) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL13980090 0.88 CHRM2 (0.72) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL3690034 0.88 CHRM2 (0.72) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL723471 0.86 CHRM2 (0.82) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL723472 0.86 CHRM2 (0.82) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL12403895 0.86 CHRM2 (0.63) CHRM2CHRM1CHRM3MAPTCHRM5
SCHEMBL8428696 0.86 CHRM2 (0.66) CHRM2CHRM1CHRM3MAPTCHRM5

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
WO-2010018484-A1 NEW USES OF DIISOPROPYLAMINE DERIVATIVES PFIZER LIMITED (GB) 2010-02-18 WO claimed
US-7384980-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2008-06-10 US claimed
EP-1077912-B1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2002-07-03 EP claimed
EP-0957073-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 1999-11-17 EP claimed
WO-2010018484-A1 NEW USES OF DIISOPROPYLAMINE DERIVATIVES PFIZER LIMITED (GB) 2010-02-18 WO disclosed
EP-0957073-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 1999-11-17 EP disclosed