SCHEMBL7993545

SCHEMBL7993545

C=CCN1CC(C)N(c2c(O)cccc2Cc2ccc(C(=O)N(CC)CC)cc2)CC1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
CYP1A2 P05177 4/20 0.54
OPRD1 P41143 4/20 0.54
CYP2C9 P11712 3/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP2C19 P33261 2/20 0.54
OPRM1 P35372 2/20 0.53
OPRK1 P41145 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 2/20 0.49
LMNA P02545 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL8009424 1.00 CYP3A4 (0.54) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL8002856 1.00 CYP3A4 (0.54) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL4591245 1.00 CYP3A4 (0.54) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL6918646 0.88 CYP1A2 (0.47) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL8004084 0.85 OPRD1 (0.37) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL8002904 0.81 OPRD1 (0.34) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL8009013 0.81 OPRD1 (0.34) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL8004080 0.81 OPRD1 (0.34) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL9212660 0.81 KDM4E (0.41) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL6915923 0.81 OPRD1 (0.43) CYP3A4CYP1A2OPRD1CYP2C9HPGD

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 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