SCHEMBL4239300

SCHEMBL4239300

O=C1C=CC=C(C2=CN(CCCN3CC4CCC3CC4NC(=O)Cc3ccccc3)C=CO2)C1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.31
AVPR1A P37288 2/20 0.30
MAPT P10636 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
DRD2 P14416 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
ADRA1B P35368 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL4221310 0.84 CHRM1 (0.37) CHRM1AVPR1ACHRM2CHRM4CHRM5
SCHEMBL1554091 0.81 CHRM1 (0.49) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4049616 0.73 SIGMAR1 (0.49) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4051360 0.72 SIGMAR1 (0.47) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4231625 0.71 CHRM1 (0.53) CHRM1CHRM4CHRM5MCHR1
SCHEMBL4239298 0.69 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4236228 0.68 SIGMAR1 (0.50) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4432414 0.67 ASAH1 (0.39)
SCHEMBL4430264 0.67 ALDH1A1 (0.42) CHRM5CHRM3ADRA1AADRA1BKCNH2
SCHEMBL5448117 0.66 PPARA (0.37)

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 1 patent. 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