SCHEMBL4233191

SCHEMBL4233191

NC1CCN(CCCN2C(=O)COc3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.68
DRD2 P14416 10/20 0.64
KCNH2 Q12809 8/20 0.64
HTR2A P28223 3/20 0.64
MCHR1 Q99705 3/20 0.64
CHRM2 P08172 1/20 0.64
CHRM4 P08173 1/20 0.64
CHRM5 P08912 1/20 0.64
CHRM3 P20309 1/20 0.64
ADRA1A P35348 1/20 0.64
HRH1 P35367 1/20 0.64
ADRA1B P35368 1/20 0.64

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
SCHEMBL708578 0.93 DRD4 (0.62) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4104781 0.83 CHRM1 (0.74) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4417019 0.83 CHRM1 (0.62) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4096819 0.82 CHRM1 (0.61) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4222231 0.81 CHRM1 (1.00) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4106077 0.81 CHRM1 (0.63) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4226612 0.80 CHRM1 (1.00) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4235731 0.80 CHRM1 (0.77) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL8013233 0.79 CHRM1 (0.61) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL20774003 0.79 ALDH1A1 (0.55) CHRM1DRD2KCNH2HTR2AMCHR1

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