SCHEMBL11297071

SCHEMBL11297071

C=C(C)C(=O)Oc1ccc(C(=O)O)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.58
CHRM1 P11229 3/20 0.58
CHRM5 P08912 2/20 0.47
CHRM3 P20309 2/20 0.47
HRH1 P35367 2/20 0.47
ADRB2 P07550 1/20 0.47
CX3CR1 P49238 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PTGS1 P23219 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
CHRM4 P08173 1/20 0.46
KCNE1 P15382 1/20 0.46
HRH2 P25021 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL11292330 1.00 CHRM2 (0.58) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL11299561 0.91 CHRM2 (0.55) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL1115911 0.87 CHRM2 (0.75) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL724699 0.87 CHRM2 (0.75) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL11292873 0.86 CHRM2 (0.77) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL11292877 0.86 CHRM2 (0.77) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL11300782 0.85 CHRM2 (0.56) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL1784059 0.84 CHRM2 (0.55) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL11890503 0.83 CHRM2 (0.61) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL19982589 0.83 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3HRH1

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 3 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
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed