SCHEMBL4227484

SCHEMBL4227484

CC1CN(CCCN2C(=O)COc3ccccc32)CCC1NC(=O)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.74
DRD2 P14416 3/20 0.74
KCNH2 Q12809 2/20 0.74
HTR2A P28223 2/20 0.74
MCHR1 Q99705 2/20 0.74
CHRM2 P08172 1/20 0.74
CHRM4 P08173 1/20 0.74
CHRM5 P08912 1/20 0.74
CHRM3 P20309 1/20 0.74
ADRA1A P35348 1/20 0.74
HRH1 P35367 1/20 0.74
ADRA1B P35368 1/20 0.74
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.50
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4224843 1.00 CHRM1 (0.74) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL1554089 0.85 CHRM1 (1.00) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4237250 0.82 CHRM1 (0.73) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4236803 0.79 CHRM1 (0.74) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4239298 0.79 CHRM1 (0.64) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4051358 0.78 CHRM1 (0.83) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4049615 0.77 CHRM1 (0.82) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4222231 0.77 CHRM1 (1.00) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4221304 0.76 CHRM1 (0.73) CHRM1DRD2KCNH2HTR2AMCHR1
SCHEMBL4231619 0.76 CHRM1 (1.00) 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 claimed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed