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Sugi Predict / Compounds / SCHEMBL3699427

SCHEMBL3699427

SCHEMBL3699427

NC(=O)c1ccc(Oc2ccc3c(c2)CN(C2CCCCC2)CC3)nc1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.83
▸ OPRM1 P35372 9/20 0.61
▸ OPRD1 P41143 8/20 0.61
▸ OPRK1 P41145 7/20 0.61
▸ HRH1 P35367 1/20 0.55

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
SCHEMBL1707159 0.91 HRH3 (1.00) HRH3OPRM1OPRD1OPRK1HRH1
SCHEMBL3694962 0.84 OPRM1 (0.69) HRH3OPRM1OPRD1OPRK1
SCHEMBL14372315 0.84 HRH3 (0.79) HRH3HRH1
SCHEMBL3090975 0.82 HRH3 (0.83) HRH3HRH1
SCHEMBL3691940 0.81 OPRM1 (0.86) HRH3OPRM1OPRD1OPRK1
SCHEMBL3082047 0.81 HRH3 (0.81) HRH3HRH1
SCHEMBL27549464 0.81 OPRM1 (0.69) HRH3OPRM1OPRD1OPRK1
SCHEMBL3094776 0.80 HRH3 (0.82) HRH3HRH1
SCHEMBL3094821 0.80 HRH3 (0.98) HRH3HRH1
SCHEMBL3100997 0.80 HRH3 (1.00) HRH3HRH1

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 3 patents. 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
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 — — CN disclosed
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 — — CN disclosed