SCHEMBL6555936

SCHEMBL6555936

C=CCN1C[C@H](C)N([C@H](c2ccc(C(N)=O)cc2)c2cccc(O)c2)C[C@@H]1C

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2C9 P11712 1/20 0.77
HPGD P15428 1/20 0.77
OPRM1 P35372 1/20 0.77
OPRK1 P41145 1/20 0.77
SIGMAR1 Q99720 1/20 0.77

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
SCHEMBL12016535 1.00 OPRD1 (0.77) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4590914 1.00 OPRD1 (0.77) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4590919 1.00 OPRD1 (0.77) OPRD1CYP1A2CYP3A4CYP2C9HPGD
Hydrochloric Acid SCHEMBL4576422 0.99 OPRD1 (0.76) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4575846 0.93 OPRD1 (0.70) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4575842 0.93 OPRD1 (0.70) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL15450313 0.92 OPRD1 (0.80) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL2751382 0.92 OPRD1 (0.80) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL2751365 0.92 OPRD1 (0.80) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12016506 0.92 OPRD1 (0.80) OPRD1CYP1A2CYP3A4CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938317-B1 COMPOSITIONS FOR REDUCING RESPIRATORY DEPRESSION ARDENT PHARMACEUTICALS INC (US) 2004-03-03 EP claimed