SCHEMBL31499669

SCHEMBL31499669

CCc1c(N2CCNCC2)c(=O)n2nc(C3=CC4COCC4C3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.57
▸ ACHE P22303 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ TSHR P16473 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK9 P45984 1/20 0.31

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
SCHEMBL31499696 0.93 WRN (0.56) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31499968 0.92 WRN (0.55) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31499922 0.90 WRN (0.53) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31499923 0.89 WRN (0.52) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295771 0.89 WRN (0.52) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31499954 0.88 WRN (0.52) WRNACHEPOLBALDH1A1TSHR
SCHEMBL31500556 0.87 WRN (0.57) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31499893 0.87 WRN (0.67) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31394090 0.86 WRN (0.53) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25035189 0.86 WRN (0.74) WRNACHEPOLBL3MBTL1ALDH1A1

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
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 — — WO disclosed
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