SCHEMBL6166416

SCHEMBL6166416

COc1cccc(C2c3ccccc3NC(=O)N2C2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.52
CHRM2 P08172 2/20 0.52
DRD2 P14416 3/20 0.49
DRD4 P21917 2/20 0.49
OPRM1 P35372 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
PDE5A O76074 1/20 0.49
PDE11A Q9HCR9 1/20 0.49
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CHRM4 P08173 1/20 0.47
DRD3 P35462 1/20 0.45
ACHE P22303 2/20 0.44
CCR8 P51685 1/20 0.44
MEN1 O00255 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
Hydrochloric Acid SCHEMBL6168628 0.99 CHRM3 (0.52) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL8565700 0.95 CHRM3 (0.56) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL8570359 0.93 CHRM3 (0.51) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6169679 0.93 CHRM3 (0.48) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL8567234 0.91 CHRM2 (0.50) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL8570499 0.89 CHRM3 (0.55) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6166562 0.89 CHRM3 (0.55) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6166885 0.88 CHRM3 (0.52) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL29445321 0.87 OPRL1 (0.52) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL6168606 0.87 OPRL1 (0.52) CHRM3CHRM2DRD2DRD4OPRM1

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