SCHEMBL4067641

SCHEMBL4067641

O=C(O)C(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)C1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.87
CHRM1 P11229 5/20 0.87
CHRM4 P08173 3/20 0.87
CHRM3 P20309 3/20 0.87
CHRM2 P08172 2/20 0.87
KCNH2 Q12809 2/20 0.87
ADRB2 P07550 1/20 0.87
ADRB1 P08588 1/20 0.87
ADRA2A P08913 1/20 0.87
DRD2 P14416 1/20 0.87
KCNE1 P15382 1/20 0.87
ADRA2B P18089 1/20 0.87
ADRA2C P18825 1/20 0.87
HRH2 P25021 1/20 0.87
HTR2A P28223 1/20 0.87
SLC6A4 P31645 1/20 0.87
ADRA1A P35348 1/20 0.87
OPRM1 P35372 1/20 0.87
OPRK1 P41145 1/20 0.87
HTR2B P41595 1/20 0.87

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
SCHEMBL14044254 1.00 CHRM5 (0.87) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL2774455 0.93 CHRM5 (1.00) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL31257801 0.93 CHRM5 (1.00) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL56574 0.93 CHRM5 (1.00) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL113331 0.93 CHRM5 (1.00) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL1318587 0.92 CHRM5 (0.98) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL138745 0.92 CHRM5 (0.98) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL1973347 0.92 CHRM5 (0.98) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL3662174 0.92 CHRM5 (0.98) CHRM5CHRM1CHRM4CHRM3CHRM2
Darifenacin SCHEMBL453486 0.92 CHRM5 (0.98) CHRM5CHRM1CHRM4CHRM3CHRM2

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-2109601-A2 PREPARATION OF DARIFENACIN AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2009-10-21 EP disclosed
WO-2008100651-A2 PREPARATION OF DARIFENACIN AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2008-08-21 WO disclosed