SCHEMBL4228778

SCHEMBL4228778

CCC(=O)NC1CCN(CCCN2C=CSC(C3=CC=CC(=O)C3)=C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.43
HRH3 Q9Y5N1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL4235252 0.89 CHRM1 (0.42) CHRM1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4236228 0.88 SIGMAR1 (0.50) CHRM1ADRA1AADRA1BSIGMAR1DRD2
SCHEMBL4230418 0.84 CHRM1 (0.51) CHRM1SIGMAR1
SCHEMBL4049143 0.73 CHRM1 (0.35) CHRM1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL1554091 0.73 CHRM1 (0.49) CHRM1ADRA1AADRA1BSIGMAR1DRD2
SCHEMBL4226945 0.73 CHRM1 (0.45) CHRM1HRH3L3MBTL1ADRA1AADRA1B
SCHEMBL4236355 0.73 CHRM1 (0.43) CHRM1ADRA1DADRA1AADRA1BDRD2
SCHEMBL4051360 0.72 SIGMAR1 (0.47) CHRM1HRH3L3MBTL1ADRA1AADRA1B
SCHEMBL4231625 0.70 CHRM1 (0.53) CHRM1SIGMAR1
SCHEMBL4049616 0.70 SIGMAR1 (0.49) CHRM1ADRA1AADRA1BSIGMAR1DRD2

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