SCHEMBL4226945

SCHEMBL4226945

CCC(=O)NC1CCN(CCCN2C=COC(C3=C(C)C=CC(=O)C3)=C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.45
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 5/20 0.35
HTR2A P28223 5/20 0.35
DRD3 P35462 4/20 0.35
CCR1 P32246 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL4230615 0.78 CHRM1 (0.51) CHRM1DRD2HTR2ACHRM2CHRM4
SCHEMBL4235669 0.78 CHRM1 (0.55) CHRM1CHRM4CHRM5MCHR1
SCHEMBL4049143 0.75 CHRM1 (0.35) CHRM1L3MBTL1DRD2HTR2ADRD3
SCHEMBL1554091 0.75 CHRM1 (0.49) CHRM1DRD2HTR2ACHRM2CHRM4
SCHEMBL4236355 0.74 CHRM1 (0.43) CHRM1DRD2HTR2ADRD3CCR1
SCHEMBL4051360 0.74 SIGMAR1 (0.47) CHRM1HRH3L3MBTL1DRD2HTR2A
SCHEMBL4228778 0.73 CHRM1 (0.43) CHRM1HRH3L3MBTL1DRD2ADRA1A
SCHEMBL4231625 0.71 CHRM1 (0.53) CHRM1CHRM4CHRM5MCHR1
SCHEMBL4049616 0.71 SIGMAR1 (0.49) CHRM1DRD2HTR2ACHRM2CHRM4
SCHEMBL4225067 0.70 CHRM1 (0.35) CHRM1DRD2HTR2ACHRM2CHRM4

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
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed