SCHEMBL7014940

SCHEMBL7014940

CCCCC1CCN(C(CC(C)=O)c2cc3ccccc3o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 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
DRD2 P14416 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
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7009742 0.80 CHRM1 (0.39) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL7011761 0.78 SLC6A4 (0.44) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL5345306 0.71 CHRM1 (0.61) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL5463134 0.71 GNAI3 (0.44) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL5335284 0.68 DRD2 (0.55) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL7010010 0.67 CHRM1 (0.35) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL5458615 0.65 CHRM1 (0.35) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL669129 0.64 MAOB (0.45) ALDH1A1HDAC3MAOBKDM4EMAOA
SCHEMBL13597153 0.64 NPC1 (0.66) CHRM2DRD4RAB9AALDH1A1NPC1
SCHEMBL13597015 0.64 DPP4 (0.63) CHRM1CHRM2CHRM4CHRM5ADRA2A

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