SCHEMBL30161688

SCHEMBL30161688

Cc1cc(Cl)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 15/20 0.49
▸ OPRK1 P41145 13/20 0.48

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
SCHEMBL20499954 1.00 OPRM1 (0.49) OPRM1OPRK1
SCHEMBL20670698 0.89 OPRK1 (0.51) OPRM1OPRK1
SCHEMBL20670475 0.84 OPRM1 (0.58) OPRM1OPRK1
SCHEMBL20670583 0.83 OPRM1 (0.50) OPRM1OPRK1
SCHEMBL20500041 0.82 OPRK1 (0.53) OPRM1OPRK1
SCHEMBL20499978 0.82 OPRK1 (0.45) OPRM1OPRK1
SCHEMBL20499945 0.81 OPRK1 (0.53) OPRM1OPRK1
SCHEMBL20670579 0.81 OPRK1 (0.46) OPRM1OPRK1
SCHEMBL29664055 0.81 OPRK1 (0.46) OPRM1OPRK1
SCHEMBL24611001 0.79 OPRK1 (0.42) OPRM1OPRK1

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-4141001-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO The Scripps Research Institute (US) 2023-03-01 — — EP disclosed
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