SCHEMBL31728273

SCHEMBL31728273

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RBP4 P02753 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
SCHEMBL31728001 0.91 NPC1 (0.31) SMN1; SMN2CHRNB4CHRNA3
SCHEMBL31727985 0.82 PDE10A (0.38) OPRK1KMT2A
SCHEMBL31727266 0.82 OPRK1 (0.34) OPRK1MEN1KMT2A
SCHEMBL31728267 0.82 OPRK1 (0.34) OPRK1MEN1KMT2A
SCHEMBL31727781 0.81 OPRK1 (0.37) OPRK1RBP4
SCHEMBL31727588 0.79 MAPT (0.36) OPRK1SMN1; SMN2MEN1KMT2A
SCHEMBL31728093 0.79 CHRNB4 (0.41) OPRK1CHRNB4CHRNA3
SCHEMBL31727072 0.77 MAPT (0.39) OPRK1CHRNB4CHRNA3MEN1KMT2A
SCHEMBL31727915 0.77 HRH4 (0.31) OPRK1
SCHEMBL31727323 0.76 LMNA (0.40) OPRK1MEN1KMT2A

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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