SCHEMBL3695101

SCHEMBL3695101

NC(=O)c1ccc(Oc2ccc3c(c2)CCN(Cc2ccccc2)C3)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 1.00
OPRD1 P41143 17/20 1.00
OPRK1 P41145 15/20 1.00
ABCB1 P08183 1/20 0.71

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
SCHEMBL3694156 0.96 OPRM1 (1.00) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3692306 0.94 OPRM1 (1.00) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3690327 0.92 OPRM1 (1.00) OPRM1OPRD1OPRK1ABCB1
SCHEMBL27569191 0.92 OPRM1 (0.85) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3702304 0.91 OPRM1 (0.83) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3700181 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL27550519 0.91 OPRM1 (0.83) OPRM1OPRD1OPRK1ABCB1
SCHEMBL27569267 0.90 OPRM1 (0.82) OPRM1OPRD1OPRK1ABCB1
SCHEMBL27572242 0.89 OPRM1 (0.80) OPRM1OPRD1OPRK1ABCB1
SCHEMBL3761851 0.89 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 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