SCHEMBL4236803

SCHEMBL4236803

CC1CC(NC(=O)Cc2ccccc2)CCN1CCCN1C(=O)COc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.74
CHRM2 P08172 1/20 0.74
CHRM4 P08173 1/20 0.74
CHRM5 P08912 1/20 0.74
DRD2 P14416 1/20 0.74
CHRM3 P20309 1/20 0.74
HTR2A P28223 1/20 0.74
ADRA1A P35348 1/20 0.74
HRH1 P35367 1/20 0.74
ADRA1B P35368 1/20 0.74
KCNH2 Q12809 1/20 0.74
MCHR1 Q99705 1/20 0.74
HTT P42858 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
SCHEMBL1554089 0.85 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4221304 0.82 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4224843 0.79 CHRM1 (0.74) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4227484 0.79 CHRM1 (0.74) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4239298 0.79 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4051358 0.78 CHRM1 (0.83) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4049615 0.77 CHRM1 (0.82) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4237250 0.76 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4231619 0.76 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4222231 0.75 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5DRD2

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