SCHEMBL4225067

SCHEMBL4225067

O=C1C=CC(F)=C(C2=CN(CCCN3CCC(NC(=O)C(Cc4ccccc4)C4=COCO4)CC3)C=CO2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.35
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
DRD2 P14416 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
SIGMAR1 Q99720 3/20 0.32
DRD4 P21917 2/20 0.32
ADRA1D P25100 1/20 0.31

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
SCHEMBL4235669 0.73 CHRM1 (0.55) CHRM1CHRM4CHRM5MCHR1SIGMAR1
SCHEMBL4049511 0.73 CHRM1 (0.66) CHRM1ADRA1AADRA1BCHRM2CHRM4
SCHEMBL1554091 0.70 CHRM1 (0.49) CHRM1ADRA1AADRA1BCHRM2CHRM4
SCHEMBL4236355 0.68 CHRM1 (0.43) CHRM1ADRA1AADRA1BDRD2HTR2A
SCHEMBL4049143 0.65 CHRM1 (0.35) CHRM1ADRA1AADRA1BCHRM2CHRM4
SCHEMBL4230615 0.65 CHRM1 (0.51) CHRM1ADRA1AADRA1BCHRM2CHRM4
SCHEMBL13584020 0.65 DRD2 (0.69) DRD2HTR2A
SCHEMBL4049616 0.64 SIGMAR1 (0.49) CHRM1ADRA1AADRA1BCHRM2CHRM4
SCHEMBL9934949 0.64 DRD2 (0.70) DRD2HTR2A
SCHEMBL4231625 0.62 CHRM1 (0.53) CHRM1CHRM4CHRM5MCHR1SIGMAR1

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