SCHEMBL7445366

SCHEMBL7445366

O=C1OC(CCc2ccccc2)(c2ccccc2)CC(O)=C1N(c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
OPRD1 P41143 2/20 0.35
MAPT P10636 1/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
PGR P06401 1/20 0.35
CTSD P07339 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
PGA5 P0DJD9 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CTSE P14091 1/20 0.35
GABRA1 P14867 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL7446274 0.84 LDHA (0.36) OPRD1ADRA1AOPRM1OPRK1
SCHEMBL7075213 0.76 OPRM1 (0.39) OPRM1
SCHEMBL7079838 0.74 LDHA (0.38) OPRM1MEN1KMT2A
SCHEMBL7078683 0.74 LDHA (0.35) ALDH1A1MAPTOPRM1KMT2A
SCHEMBL7502710 0.73 MLNR (0.47) ALDH1A1OPRD1MAPTMLNRNR1I2
SCHEMBL7445214 0.73 LDHA (0.35) OPRM1
SCHEMBL7075144 0.72 LDHA (0.37) OPRD1OPRM1OPRK1
SCHEMBL7073642 0.72 OPRM1 (0.36) OPRD1CHRM2OPRM1OPRK1
SCHEMBL7075170 0.71 LDHA (0.36) OPRM1
SCHEMBL7073418 0.70 LDHA (0.38) OPRM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP claimed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed