SCHEMBL4444156

SCHEMBL4444156

COc1ccc2[nH]c(=O)n(C3CCN(C4CCCC4)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.62
CHRM2 P08172 4/20 0.62
CHRM4 P08173 4/20 0.62
CHRM3 P20309 3/20 0.62
CHRM5 P08912 2/20 0.58
KCNH2 Q12809 1/20 0.58
OPRM1 P35372 7/20 0.54
OPRL1 P41146 2/20 0.54
OPRD1 P41143 2/20 0.53
OPRK1 P41145 2/20 0.53
HSD11B1 P28845 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PGR P06401 1/20 0.51
SLC18A3 Q16572 1/20 0.49
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL4442605 0.98 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL8883635 0.91 PGR (0.56) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL4939509 0.90 CHRM1 (0.74) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL606455 0.88 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL606454 0.88 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4302535 0.88 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL20358063 0.87 OPRM1 (0.55) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL607529 0.87 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL607530 0.87 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4541065 0.84 HSD11B1 (0.56) CHRM1CHRM2CHRM4CHRM3CHRM5

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-2009124883-A1 NOVEL 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
WO-2009124883-A1 NOVEL 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed