SCHEMBL31728267

SCHEMBL31728267

CC(C)(C)O[C@H]1CCN(c2cc(Br)cnc2[N+](=O)[O-])C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.34
▸ MAPT P10636 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL31727266 1.00 OPRK1 (0.34) OPRK1MAPTMAPK1MEN1KMT2A
SCHEMBL31727588 0.93 MAPT (0.36) OPRK1MAPTMAPK1MEN1KMT2A
SCHEMBL31727915 0.91 HRH4 (0.31) OPRK1
SCHEMBL31728273 0.82 OPRK1 (0.37) OPRK1MEN1KMT2A
SCHEMBL31727320 0.80 OPRK1 (0.34) OPRK1LIPG
SCHEMBL31727065 0.80 OPRK1 (0.34) OPRK1LIPG
SCHEMBL31727724 0.80 OPRK1 (0.32) OPRK1MAPT
SCHEMBL31727072 0.80 MAPT (0.39) OPRK1MAPTMAPK1MEN1KMT2A
SCHEMBL31727323 0.79 LMNA (0.40) OPRK1MAPTMAPK1MEN1KMT2A
SCHEMBL31727264 0.79 LMNA (0.40) OPRK1MAPTMAPK1MEN1KMT2A

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
Send feedback