SCHEMBL8568112

SCHEMBL8568112

C#CCN1CCC(N2C(=O)Nc3ccccc3C2c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.41
MAOB P27338 6/20 0.41
BCHE P06276 2/20 0.39
DRD2 P14416 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
OPRL1 P41146 1/20 0.37
TACR1 P25103 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
PDE6D O43924 5/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL6168606 0.85 OPRL1 (0.52) DRD2OPRL1DRD4DRD3CHRM2
SCHEMBL29445321 0.85 OPRL1 (0.52) DRD2OPRL1DRD4DRD3CHRM2
SCHEMBL8564971 0.85 TACR1 (0.43) DRD2OPRL1TACR1DRD4DRD3
SCHEMBL6168102 0.84 CHRM3 (0.42) DRD2OPRL1TACR1DRD4DRD3
SCHEMBL8567952 0.83 SLC18A3 (0.49) SIGMAR1OPRL1TACR1PDE6D
SCHEMBL8565908 0.83 TACR1 (0.41) OPRL1TACR1CHRM2CHRM3
SCHEMBL8565287 0.82 CHRM3 (0.53) DRD2SIGMAR1DRD4CHRM1CHRM3
SCHEMBL8571012 0.82 CHRM2 (0.49) DRD2SIGMAR1OPRL1DRD4CHRM2
SCHEMBL8571710 0.82 PRCP (0.42) DRD2SIGMAR1OPRL1TACR1PDE6D
SCHEMBL6168284 0.82 TACR1 (0.41) OPRL1TACR1PDE6DCHRM3

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-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 EP disclosed