SCHEMBL8004080

SCHEMBL8004080

C=CCN1C[C@H](C)N(c2c(O)cccc2Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.34
OPRM1 P35372 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
OPRK1 P41145 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL8009013 1.00 OPRD1 (0.34) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL8002904 1.00 OPRD1 (0.34) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL6937690 0.90 ALDH1A1 (0.36) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4591245 0.81 CYP3A4 (0.54) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL7993545 0.81 CYP3A4 (0.54) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL8002856 0.81 CYP3A4 (0.54) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL6915923 0.78 OPRD1 (0.43) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4576511 0.74 OPRD1 (0.59) OPRD1
SCHEMBL9212660 0.73 KDM4E (0.41) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6937908 0.70 GAA (0.35) OPRD1HPGD

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-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-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
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