SCHEMBL31727320

SCHEMBL31727320

CC(C)(C)O[C@@H]1CCN(c2cc(Br)cnc2F)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 13/20 0.34
▸ LIPG Q9Y5X9 4/20 0.33
▸ SCD O00767 1/20 0.33
▸ LPL P06858 2/20 0.32
▸ LIPC P11150 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ ACACB O00763 1/20 0.31

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
SCHEMBL31727065 1.00 OPRK1 (0.34) OPRK1LIPGSCDLPLLIPC
SCHEMBL31727791 0.92 OPRK1 (0.34) OPRK1SCD
SCHEMBL31727525 0.90 HRH4 (0.34) OPRK1HRH4ACACB
SCHEMBL31728267 0.80 OPRK1 (0.34) OPRK1LIPG
SCHEMBL31727266 0.80 OPRK1 (0.34) OPRK1LIPG
SCHEMBL31727781 0.80 OPRK1 (0.37) OPRK1
SCHEMBL31728302 0.78 F2RL1 (0.38) OPRK1SCDHRH4
SCHEMBL31727694 0.73 HRH4 (0.30) HRH4
SCHEMBL31728443 0.72 HRH4 (0.35) OPRK1HRH4ACACB
SCHEMBL31728274 0.70 CHRNB2 (0.37) OPRK1HRH4

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
WO-2025231561-A1 TERTIARY AMINE-SUBSTITUTED BIPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 — — WO disclosed
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