SCHEMBL29846957

SCHEMBL29846957

CC(c1cc(F)ccc1OC(F)(F)F)N1CCc2ncc(Br)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.35
▸ UGCG Q16739 1/20 0.34
▸ TRPC5 Q9UL62 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ PSEN1 P49768 3/20 0.32
▸ PSEN2 P49810 3/20 0.32
▸ APH1B Q8WW43 3/20 0.32
▸ NCSTN Q92542 3/20 0.32
▸ APH1A Q96BI3 3/20 0.32
▸ PSENEN Q9NZ42 3/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ TACR1 P25103 2/20 0.31
▸ ALPL P05186 2/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ KCNN4 O15554 1/20 0.30
▸ PDE2A O00408 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
SCHEMBL23753820 1.00 FFAR1 (0.35) FFAR1UGCGTRPC5GPBAR1PSEN1
SCHEMBL29847050 0.90 HSD17B13 (0.34) ALPLKCNN4PDE2A
SCHEMBL22470689 0.90 HSD17B13 (0.34) ALPLKCNN4PDE2A
SCHEMBL29847281 0.84 TRPV1 (0.37) FFAR1UGCGPSEN1PSEN2APH1B
SCHEMBL23753929 0.84 PDE2A (0.33) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL29846857 0.84 PDE2A (0.33) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL23761249 0.79 GPR55 (0.36) KCNH2GABRG2GABRB3GABRA5BRD4
SCHEMBL23753835 0.79 PIK3CG (0.37) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL29847002 0.79 PIK3CG (0.37) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL23753939 0.78 KCNN4 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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
Send feedback