SCHEMBL3700644

SCHEMBL3700644

C#CCCCN1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.73
OPRD1 P41143 19/20 0.73
OPRK1 P41145 17/20 0.73

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
SCHEMBL3695220 0.87 OPRM1 (0.90) OPRM1OPRD1OPRK1
SCHEMBL27569233 0.86 OPRM1 (0.76) OPRM1OPRD1OPRK1
SCHEMBL3693662 0.85 OPRM1 (0.78) OPRM1OPRD1OPRK1
SCHEMBL3761851 0.85 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL3694851 0.83 OPRM1 (0.83) OPRM1OPRD1OPRK1
SCHEMBL27549326 0.83 OPRM1 (0.90) OPRM1OPRD1OPRK1
SCHEMBL3693537 0.83 OPRM1 (0.90) OPRM1OPRD1OPRK1
SCHEMBL27549482 0.83 OPRM1 (0.73) OPRM1OPRD1OPRK1
SCHEMBL3690867 0.83 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL3700181 0.83 OPRM1 (1.00) OPRM1OPRD1OPRK1

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-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed