SCHEMBL5183240

SCHEMBL5183240

NC(=O)c1ccc(Oc2ccc3c(c2)CC(NCCCC(F)(F)F)C3)nc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.59
OPRD1 P41143 17/20 0.59
HRH3 Q9Y5N1 1/20 0.48
OPRK1 P41145 14/20 0.47

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
SCHEMBL5181385 0.88 OPRM1 (0.57) OPRM1OPRD1HRH3OPRK1
SCHEMBL385665 0.87 OPRM1 (0.57) OPRM1OPRD1HRH3OPRK1
SCHEMBL5181908 0.87 OPRM1 (0.49) OPRM1OPRD1HRH3OPRK1
SCHEMBL5182847 0.86 OPRM1 (0.58) OPRM1OPRD1HRH3OPRK1
SCHEMBL5182792 0.86 OPRM1 (0.58) OPRM1OPRD1HRH3OPRK1
SCHEMBL388291 0.84 OPRM1 (0.63) OPRM1OPRD1HRH3OPRK1
SCHEMBL387613 0.84 OPRM1 (0.58) OPRM1OPRD1HRH3OPRK1
SCHEMBL387609 0.83 OPRM1 (0.59) OPRM1OPRD1HRH3OPRK1
SCHEMBL387293 0.83 OPRM1 (0.57) OPRM1OPRD1HRH3OPRK1
SCHEMBL5181309 0.82 OPRM1 (0.52) OPRM1OPRD1HRH3OPRK1

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-1613597-B1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2007-11-07 EP disclosed