SCHEMBL7572161

SCHEMBL7572161

[CH2]c1ccc(OC(C)=O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.63
CHRM1 P11229 4/20 0.63
CHRM3 P20309 5/20 0.50
HRH1 P35367 3/20 0.50
MAPT P10636 3/20 0.50
CHRM5 P08912 2/20 0.50
ESR1 P03372 2/20 0.50
PTGS1 P23219 2/20 0.50
HTR2A P28223 2/20 0.50
LMNA P02545 1/20 0.50
CHRM4 P08173 1/20 0.50
KCNE1 P15382 1/20 0.50
HRH2 P25021 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
KCNQ1 P51787 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50

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
SCHEMBL7571904 0.90 CHRM2 (0.58) CHRM2CHRM1CHRM3HRH1MAPT
SCHEMBL4879639 0.87 CHRM2 (0.67) CHRM2CHRM1CHRM3HRH1MAPT
SCHEMBL574530 0.87 CHRM2 (0.67) CHRM2CHRM1CHRM3HRH1MAPT
Hydrochloric Acid SCHEMBL4771342 0.86 CHRM2 (0.66) CHRM2CHRM1CHRM3HRH1MAPT
SCHEMBL3691757 0.85 CHRM2 (0.85) CHRM2CHRM1CHRM3HRH1MAPT
SCHEMBL15148677 0.84 CHRM2 (0.61) CHRM2CHRM1CHRM3HRH1MAPT
SCHEMBL3690034 0.83 CHRM2 (0.72) CHRM2CHRM1CHRM3HRH1MAPT
SCHEMBL13980090 0.83 CHRM2 (0.72) CHRM2CHRM1CHRM3HRH1MAPT
SCHEMBL8430551 0.83 CHRM2 (0.69) CHRM2CHRM1CHRM3HRH1MAPT
SCHEMBL7574844 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3HRH1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077912-B1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2002-07-03 EP claimed