SCHEMBL6166885

SCHEMBL6166885

COc1ccc2c(c1)C(c1ccccc1)N(C1CCN(Cc3ccccc3)CC1)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.52
DRD2 P14416 3/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.51
SIGMAR1 Q99720 7/20 0.50
CHRM2 P08172 2/20 0.49
ACHE P22303 3/20 0.47
KMT2A Q03164 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MEN1 O00255 1/20 0.47
BACE1 P56817 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL8565700 0.89 CHRM3 (0.56) CHRM3DRD2DRD4SIGMAR1CHRM2
SCHEMBL8570499 0.89 CHRM3 (0.55) CHRM3DRD2DRD4DRD3SIGMAR1
SCHEMBL6166562 0.89 CHRM3 (0.55) CHRM3DRD2DRD4DRD3SIGMAR1
SCHEMBL6166416 0.88 CHRM3 (0.52) CHRM3DRD2DRD4DRD3SIGMAR1
Hydrochloric Acid SCHEMBL6168628 0.87 CHRM3 (0.52) CHRM3DRD2DRD4DRD3SIGMAR1
SCHEMBL8567873 0.85 MEN1 (0.49) CHRM3DRD2DRD4DRD3CHRM2
SCHEMBL8570094 0.85 CHRM3 (0.51) CHRM3DRD2DRD4SIGMAR1CHRM2
SCHEMBL6168220 0.85 CHRM2 (0.49) CHRM3DRD2DRD4DRD3SIGMAR1
SCHEMBL6168606 0.84 OPRL1 (0.52) CHRM3DRD2DRD4DRD3CHRM2
SCHEMBL29445321 0.84 OPRL1 (0.52) CHRM3DRD2DRD4DRD3CHRM2

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