SCHEMBL6166562

SCHEMBL6166562

COc1ccc(C2c3ccccc3NC(=O)N2C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.55
CHRM2 P08172 2/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SIGMAR1 Q99720 2/20 0.49
OPRM1 P35372 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PDE5A O76074 1/20 0.47
PDE11A Q9HCR9 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
CXCR3 P49682 1/20 0.46
OPRL1 P41146 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8570499 0.96 CHRM3 (0.55) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL6165720 0.91 CHRM3 (0.47) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL8565700 0.90 CHRM3 (0.56) CHRM3CHRM2DRD2DRD4KMT2A
SCHEMBL29445321 0.89 OPRL1 (0.52) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL6168606 0.89 OPRL1 (0.52) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL6166416 0.89 CHRM3 (0.52) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL6166885 0.89 CHRM3 (0.52) CHRM3CHRM2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6168628 0.88 CHRM3 (0.52) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL6168165 0.87 CHRM3 (0.49) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL6167277 0.86 CHRM3 (0.53) CHRM3CHRM2DRD2DRD4DRD3

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