SCHEMBL31479166

SCHEMBL31479166

COC(=O)[C@@H]1CCC(c2cccc(F)c2)=N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 2/20 0.39
DGAT2 Q96PD7 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
CHRM3 P20309 4/20 0.38

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
SCHEMBL5516318 1.00 CA1 (0.42) CA1CA2CHRNB4CHRNA3NPC1
SCHEMBL2584512 0.86 TRPM8 (0.46) CHRNB4CHRNA3NPC1RAB9AATM
SCHEMBL24350331 0.83 SLC6A3 (0.42) RAB9A
SCHEMBL4508754 0.83 CHRNB4 (0.44) CA1CA2CHRNB4CHRNA3NPC1
SCHEMBL4508760 0.83 CHRNB4 (0.44) CA1CA2CHRNB4CHRNA3NPC1
SCHEMBL22039757 0.83 SLC6A3 (0.42) RAB9A
SCHEMBL22546653 0.83 DGAT2 (0.44) NPC1RAB9ADGAT2
SCHEMBL31470331 0.80 SLC6A3 (0.33) DGAT2
SCHEMBL18094429 0.76 MIF (0.52) CA1CA2DGAT2
SCHEMBL18094431 0.76 MIF (0.52) CA1CA2DGAT2

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed