SCHEMBL5245965

SCHEMBL5245965

O=C(NCC(F)(F)F)c1ccc(-n2cc(C(=O)NCc3cccc(F)c3F)nn2)c(OCCOCCF)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.37
▸ EPHX2 P34913 6/20 0.35
▸ DDT P30046 3/20 0.34
▸ MET P08581 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ GLS O94925 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
SCHEMBL5246315 0.94 HPGD (0.39) PDE10AEPHX2ROCK2ROCK1HPGD
SCHEMBL5244350 0.92 ROCK2 (0.38) PDE10ADDTPSEN1PSEN2APH1B
SCHEMBL5244355 0.91 PDE10A (0.40) PDE10ADDTMETROCK2ROCK1
SCHEMBL5244804 0.89 ROCK2 (0.39) EPHX2DDTPSEN1PSEN2APH1B
SCHEMBL5247821 0.89 ROCK2 (0.40) EPHX2METPSEN1PSEN2APH1B
SCHEMBL5244821 0.89 PPARG (0.38) PDE10AEPHX2METROCK2ROCK1
SCHEMBL5245995 0.88 ROCK2 (0.41) EPHX2METROCK2ROCK1KLKB1
SCHEMBL3111267 0.87 GLS (0.43) EPHX2DDTPSEN1PSEN2APH1B
SCHEMBL5246041 0.87 MIF (0.45) EPHX2DDTPSEN1PSEN2APH1B
SCHEMBL5248109 0.87 EGLN1 (0.38) PDE10AEPHX2DDTPSEN1PSEN2

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-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
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