SCHEMBL22237409

SCHEMBL22237409

Cn1c(COc2cccc(C(F)(F)F)c2)nnc1C1=CC=C(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PPARG P37231 2/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ RORC P51449 7/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL20832631 0.84 MAOA (0.44) L3MBTL1PPARGMAOAMAOBRORC
SCHEMBL20828522 0.82 RAB9A (0.43) L3MBTL1PPARGMAOAMAOBRORC
SCHEMBL20828440 0.80 MAOA (0.42) L3MBTL1PPARGMAOAMAOBHTR2C
SCHEMBL22227863 0.75 PPARG (0.48) L3MBTL1PPARGMAOAMAOBHTR2C
SCHEMBL20828381 0.73 RAB9A (0.41) PPARGRORCMEN1RAB9AKMT2A
SCHEMBL28430362 0.73 RAB9A (0.45) L3MBTL1PPARGMAOAMAOBRORC
SCHEMBL20832656 0.73 RAB9A (0.45) L3MBTL1PPARGMAOAMAOBRORC
SCHEMBL20832880 0.71 MAPT (0.46) PPARGMAOAMAOBRORCMEN1
SCHEMBL22623097 0.71 L3MBTL1 (0.57) L3MBTL1PPARGMAOAMAOBHTR2C
SCHEMBL20832811 0.69 L3MBTL1 (0.50) L3MBTL1PPARGMAOAMAOBHTR2C

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-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 — — EP disclosed
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