SCHEMBL23920660

SCHEMBL23920660

CC(=O)c1cnn(C/C(=C/F)CN)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 2/20 0.38
AOC3 Q16853 15/20 0.36
AR P10275 1/20 0.33
KLKB1 P03952 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL23907231 0.87 L3MBTL1 (0.49) L3MBTL1ACHEAOC3MAOB
SCHEMBL23907233 0.87 L3MBTL1 (0.49) L3MBTL1ACHEAOC3MAOB
SCHEMBL22216184 0.86 L3MBTL1 (0.36) L3MBTL1ACHEAOC3MAOB
SCHEMBL22216335 0.85 KLKB1 (0.37) L3MBTL1ACHEAOC3KLKB1MAOB
SCHEMBL22206967 0.85 GRM2 (0.38) L3MBTL1ACHEAOC3MAOB
SCHEMBL22206966 0.85 GRM2 (0.38) L3MBTL1ACHEAOC3MAOB
SCHEMBL22216339 0.83 KLKB1 (0.41) L3MBTL1KLKB1
SCHEMBL22216397 0.82 AOC3 (0.51) L3MBTL1ACHEAOC3KLKB1MAOB
SCHEMBL22216213 0.80 KLKB1 (0.43) AOC3KLKB1MAOB
SCHEMBL22216257 0.78 SMYD3 (0.41)

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
EP-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 EP disclosed