SCHEMBL31332756

SCHEMBL31332756

NCC(OCC(F)(F)F)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
AOC3 Q16853 1/20 0.44
PNMT P11086 2/20 0.42
NOS2 P35228 1/20 0.41
OPRL1 P41146 1/20 0.41
TACR1 P25103 1/20 0.40
GAA P10253 1/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
GRIN2B Q13224 1/20 0.35
SLC7A5 Q01650 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNK2 O95069 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL2701320 0.80 CHRNB2 (0.50) CHRNB2CHRNA4NOS2TACR1SLC7A5
SCHEMBL10858664 0.80 AOC3 (0.51) CHRNB2CHRNA4AOC3PNMTNOS2
SCHEMBL10727832 0.78 CHRNB2 (0.48) CHRNB2CHRNA4AOC3PNMTNOS2
SCHEMBL7486969 0.77 AOC3 (0.52) CHRNB2CHRNA4AOC3PNMTNOS2
SCHEMBL7486961 0.77 AOC3 (0.52) CHRNB2CHRNA4AOC3PNMTNOS2
SCHEMBL10862916 0.77 AOC3 (0.49) CHRNB2CHRNA4AOC3PNMTNOS2
SCHEMBL10860748 0.76 AOC3 (0.51) CHRNB2CHRNA4AOC3PNMTNOS2
SCHEMBL31332868 0.76 CHRNB2 (0.46) CHRNB2CHRNA4AOC3PNMTNOS2
SCHEMBL10859369 0.76 CHRNB2 (0.70) CHRNB2CHRNA4AOC3PNMTNOS2
SCHEMBL10734651 0.76 CHRNB2 (0.46) CHRNB2CHRNA4AOC3PNMTNOS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed