SCHEMBL8004084

SCHEMBL8004084

CCN(CC)C(=O)c1ccc(Cc2cccc(O)c2N2CC(C)N(C)CC2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.37
OPRM1 P35372 8/20 0.37
OPRK1 P41145 5/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL6918646 0.89 CYP1A2 (0.47) OPRD1OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL7993545 0.85 CYP3A4 (0.54) OPRD1OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL8009424 0.85 CYP3A4 (0.54) OPRD1OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL4591245 0.85 CYP3A4 (0.54) OPRD1OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL8002856 0.85 CYP3A4 (0.54) OPRD1OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL5311342 0.84 OPRD1 (0.40) OPRD1OPRM1OPRK1HSP90AA1HSP90AB1
SCHEMBL8145779 0.84 OPRD1 (0.40) OPRD1OPRM1OPRK1HSP90AA1HSP90AB1
SCHEMBL4575462 0.84 OPRD1 (0.40) OPRD1OPRM1OPRK1HSP90AA1HSP90AB1
SCHEMBL6246739 0.74 HSP90AA1 (0.56) HSP90AA1HSP90AB1CYP1A2HPGD
SCHEMBL252533 0.72 OPRD1 (0.53) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003373-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS INC (US) 2000-09-20 EP claimed
EP-0938317-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS INC (US) 2000-08-23 EP claimed
EP-1003373-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 2000-05-31 EP claimed
EP-0938317-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1999-09-01 EP claimed
WO-1999001033-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 1999-01-14 WO claimed
WO-1997046240-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1997-12-11 WO claimed
EP-1003373-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS INC (US) 2000-09-20 EP disclosed
EP-1003373-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 2000-05-31 EP disclosed
WO-1999001033-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed