SCHEMBL7723035

SCHEMBL7723035

CC(C)N(CCC(c1ccccc1)c1cc(C(O)C(O)c2ccc(OCc3ccccc3)c(CCCc3cccc(N(C(C)C)C(C)C)c3)c2)ccc1OCc1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 11/20 0.40
ADRB2 P07550 10/20 0.40
CHRM5 P08912 2/20 0.36
HRH1 P35367 2/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM4 P08173 1/20 0.36
MAPT P10636 1/20 0.36
KCNE1 P15382 1/20 0.36
PTGS1 P23219 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL5177881 0.79 CHRM2 (0.53) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL5177884 0.79 CHRM2 (0.53) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL27510678 0.77 CHRM2 (0.53) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL27510679 0.76 CHRM2 (0.52) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL722894 0.76 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL5179341 0.76 CHRM2 (0.53) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL5178527 0.76 CHRM2 (0.53) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL5178530 0.76 CHRM2 (0.53) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL6937177 0.76 CHRM2 (0.56) CHRM2CHRM1CHRM3ADRB2CHRM5
SCHEMBL6937179 0.76 CHRM2 (0.56) CHRM2CHRM1CHRM3ADRB2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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