SCHEMBL7446274

SCHEMBL7446274

O=C1OC(CCc2ccccc2)(c2ccccc2)CC(O)=C1N(c1ccccc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.36
OPRM1 P35372 7/20 0.35
OPRL1 P41146 2/20 0.35
EGFR P00533 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRD1 P41143 5/20 0.32
OPRK1 P41145 5/20 0.32
GRIN2B Q13224 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL7079838 0.86 LDHA (0.38) LDHAOPRM1OPRL1EGFRGAA
SCHEMBL7075213 0.84 OPRM1 (0.39) LDHAOPRM1OPRL1EGFRGAA
SCHEMBL7075144 0.84 LDHA (0.37) LDHAOPRM1OPRL1EGFRGAA
SCHEMBL7445366 0.84 HTR6 (0.39) OPRM1OPRD1OPRK1ADRA1A
SCHEMBL7073642 0.84 OPRM1 (0.36) LDHAOPRM1OPRL1EGFROPRD1
SCHEMBL7078683 0.83 LDHA (0.35) LDHAOPRM1OPRL1EGFRGAA
SCHEMBL7075170 0.82 LDHA (0.36) LDHAOPRM1OPRL1EGFRGAA
SCHEMBL7073418 0.81 LDHA (0.38) LDHAOPRM1OPRL1EGFRGAA
SCHEMBL7077455 0.81 UTS2R (0.41) LDHAOPRM1OPRL1EGFRGAA
SCHEMBL7074566 0.81 LDHA (0.35) LDHAOPRM1OPRL1EGFRGAA

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 11 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
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-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