SCHEMBL7373124

SCHEMBL7373124

O=c1oc(C2(CCc3ccccc3)CC2)cc(O)c1C(c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36
PTGES O14684 1/20 0.36
CTSD P07339 2/20 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
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
AGTR1 P30556 1/20 0.35
CCKAR P32238 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
SCHEMBL7366903 0.97 PTGES (0.37) HTR6MAP1LC3BMAP1LC3APTGESCTSD
SCHEMBL7371448 0.97 PTGES (0.37) HTR6MAP1LC3BMAP1LC3APTGESCTSD
SCHEMBL7370592 0.96 HTR6 (0.39) HTR6MAP1LC3BMAP1LC3APTGESCTSD
SCHEMBL7372608 0.93 HTR6 (0.38) HTR6MAP1LC3BMAP1LC3APTGESCTSD
SCHEMBL7376434 0.93 HTR6 (0.38) HTR6MAP1LC3BMAP1LC3APTGESCTSD
SCHEMBL7373325 0.93 HTR6 (0.37) HTR6MAP1LC3BMAP1LC3APTGESCTSD
SCHEMBL8539163 0.92 MEN1 (0.38) HTR6MAP1LC3BMAP1LC3AGAAGFER
SCHEMBL7369735 0.90 PTGES (0.37) HTR6MAP1LC3BMAP1LC3APTGESCTSD
SCHEMBL8535546 0.89 PDE4A (0.38) HTR6MAP1LC3BMAP1LC3AGAAGFER
SCHEMBL8538749 0.89 MEN1 (0.37) HTR6MAP1LC3BMAP1LC3AGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed