SCHEMBL6472157

SCHEMBL6472157

CN(CCc1ccccc1N1CC[C@H](O)C1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 20/20 0.54
OPRM1 P35372 14/20 0.54
OPRD1 P41143 14/20 0.54
CYP2D6 P10635 12/20 0.46

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
Hydrochloric Acid SCHEMBL6477651 0.99 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL6472318 0.91 OPRK1 (0.54) OPRK1OPRM1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL6475677 0.90 OPRK1 (0.56) OPRK1OPRM1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL6475237 0.90 OPRK1 (0.57) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6250186 0.90 OPRK1 (0.57) OPRK1OPRM1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL6533806 0.89 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL6477009 0.87 OPRM1 (0.57) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8701795 0.87 LTB4R (0.43) OPRK1OPRM1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL6477279 0.86 OPRM1 (0.40) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6251224 0.84 OPRK1 (0.58) 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-2005004796-A2 SULFONYLAMINO PHENYLACETAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-01-20 WO claimed