SCHEMBL6169679

SCHEMBL6169679

COCc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3cccc(OC)c3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.48
CHRM2 P08172 2/20 0.48
OPRM1 P35372 1/20 0.47
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
SIGMAR1 Q99720 2/20 0.44
PDE5A O76074 1/20 0.44
PDE11A Q9HCR9 1/20 0.44
CCR8 P51685 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
CHRM4 P08173 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.41
DRD3 P35462 1/20 0.40

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
SCHEMBL6166416 0.93 CHRM3 (0.52) CHRM3CHRM2OPRM1DRD2DRD4
SCHEMBL6165720 0.92 CHRM3 (0.47) CHRM3CHRM2OPRM1DRD2DRD4
SCHEMBL6166931 0.92 CHRM3 (0.43) CHRM3CHRM2OPRM1DRD2DRD4
Hydrochloric Acid SCHEMBL6168628 0.92 CHRM3 (0.52) CHRM3CHRM2OPRM1DRD2DRD4
SCHEMBL6167614 0.90 CHRM2 (0.44) CHRM3CHRM2OPRM1DRD2DRD4
SCHEMBL8565700 0.90 CHRM3 (0.56) CHRM3CHRM2OPRM1DRD2DRD4
SCHEMBL8570359 0.90 CHRM3 (0.51) CHRM3CHRM2OPRM1DRD2DRD4
SCHEMBL8567234 0.90 CHRM2 (0.50) CHRM3CHRM2OPRM1DRD2DRD4
SCHEMBL6168017 0.90 CHRM2 (0.44) CHRM3CHRM2OPRM1SIGMAR1CCR8
SCHEMBL6167620 0.88 CHRM3 (0.41) CHRM3CHRM2OPRM1DRD2DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122253-B1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMA (JP) 2005-08-17 EP disclosed
US-6645971-B1 Pollakiuria and urinary incontinence treatment; muscarinic receptor antagonists; anticholinergic, anticonvulsants, antiulcer, and antiasthmatics; Parkinson*s disease SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-11-11 US disclosed
EP-1122253-A1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-08-08 EP disclosed