SCHEMBL6169683

SCHEMBL6169683

COCc1cccc(CN2CCC(N3C(=O)Nc4ccc(Cl)cc4C3c3ccccc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
CHRM2 P08172 3/20 0.44
CHRM3 P20309 3/20 0.44
DRD3 P35462 3/20 0.44
ATM Q13315 2/20 0.43
OPRM1 P35372 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
CHRM1 P11229 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6170271 0.94 CHRM2 (0.45) MEN1KMT2ADRD2DRD4CHRM2
SCHEMBL6166931 0.91 CHRM3 (0.43) MEN1KMT2ADRD2DRD4CHRM2
SCHEMBL6167620 0.90 CHRM3 (0.41) DRD2DRD4CHRM2CHRM3DRD3
SCHEMBL8567873 0.90 MEN1 (0.49) MEN1KMT2ADRD2DRD4CHRM2
SCHEMBL6167614 0.90 CHRM2 (0.44) DRD2DRD4CHRM2CHRM3DRD3
SCHEMBL6167790 0.84 CHRM2 (0.43) MEN1KMT2ADRD2DRD4CHRM2
SCHEMBL6165720 0.84 CHRM3 (0.47) MEN1KMT2ADRD2DRD4CHRM2
SCHEMBL6168575 0.84 CHRM3 (0.50) MEN1KMT2ADRD2DRD4CHRM2
SCHEMBL6168017 0.83 CHRM2 (0.44) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL6169679 0.83 CHRM3 (0.48) KMT2ADRD2DRD4CHRM2CHRM3

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