SCHEMBL7009742

SCHEMBL7009742

CCCCC1CCN(C(CC(C)=O)c2oc3ccccc3c2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.39
DRD2 P14416 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
OPRK1 P41145 1/20 0.38
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
VKORC1 Q9BQB6 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL5458615 0.83 CHRM1 (0.35) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL7014940 0.80 CHRM1 (0.39) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL5345293 0.71 CHRM1 (0.62) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL7011761 0.71 SLC6A4 (0.44) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL7010010 0.69 CHRM1 (0.35) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL5336943 0.68 HRH3 (0.51) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL13597176 0.63 MAOB (0.52) DRD2HTR2ADRD3CYP2C9
SCHEMBL13597015 0.62 DPP4 (0.63) CHRM1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL13597118 0.62 TDP1 (0.60) ALDH1A1HPGD
SCHEMBL13597044 0.62 DPP4 (0.55) DRD2HTR1AADRA2AADRA2BADRA1A

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-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO disclosed