SCHEMBL9389652

SCHEMBL9389652

CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.56
OPRM1 P35372 11/20 0.56
OPRD1 P41143 11/20 0.56
CYP2D6 P10635 11/20 0.56

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
SCHEMBL9391534 0.87 OPRK1 (0.61) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9391024 0.85 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9394779 0.85 OPRK1 (0.60) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL5629401 0.83 OPRK1 (0.78) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL19753587 0.77 OPRK1 (0.47) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9389656 0.77 RORC (0.45)
SCHEMBL8049651 0.75 OPRK1 (0.51) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL19739293 0.74 OPRK1 (0.47) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL17883719 0.74 OPRK1 (0.47) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL19739344 0.74 OPRK1 (0.47) OPRK1OPRM1OPRD1CYP2D6

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
WO-1994018165-A1 SULFONAMIDE COMPOUNDS AS OPIOID K-RECEPTOR AGONISTS PFIZER INC. (US) 1994-08-18 WO disclosed