SCHEMBL29847242

SCHEMBL29847242

CC(c1cc(C(F)(F)F)ccc1F)N1CCc2ncc(Br)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.36
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ PDE2A O00408 5/20 0.32
▸ ALOX5AP P20292 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP3A5 P20815 1/20 0.31
▸ IDH1 O75874 4/20 0.31
▸ ABHD6 Q9BV23 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30

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
SCHEMBL23753939 1.00 KCNN4 (0.36) KCNN4PSEN1PSEN2APH1BNCSTN
SCHEMBL23753929 0.85 PDE2A (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29846857 0.85 PDE2A (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29846973 0.84 GRM5 (0.38) KCNN4PSEN1PSEN2APH1BNCSTN
SCHEMBL23753820 0.78 FFAR1 (0.35) KCNN4PSEN1PSEN2APH1BNCSTN
SCHEMBL29846957 0.78 FFAR1 (0.35) KCNN4PSEN1PSEN2APH1BNCSTN
SCHEMBL29847050 0.78 HSD17B13 (0.34) KCNN4PDE2A
SCHEMBL22470689 0.78 HSD17B13 (0.34) KCNN4PDE2A
SCHEMBL23753819 0.77 PIK3CG (0.37) KCNN4ALOX5APFEN1
SCHEMBL29847015 0.77 PIK3CG (0.37) KCNN4ALOX5APFEN1

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
CN-115135648-B Dihydronaphthyridones, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2024-02-09 — — CN disclosed
CN-115135648-A Dihydronaphthyridinone compounds, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2022-09-30 — — CN disclosed
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