SCHEMBL31499834

SCHEMBL31499834

CCc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(N3CCCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL31500574 1.00 WRN (0.55) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL25037158 0.98 WRN (0.57) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL30038933 0.95 WRN (0.54) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL30037701 0.92 WRN (0.51) WRNALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL25037307 0.92 WRN (0.51) WRNALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL25037157 0.91 WRN (0.49) WRNALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL30038247 0.91 WRN (0.49) WRNALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL31394893 0.90 WRN (0.54) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL31214593 0.90 WRN (0.54) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL31057847 0.90 WRN (0.53) WRNALDH1A1SMN1; SMN2NPSR1POLB

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
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
CN-119899186-A Azabicyclo derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-29 — — CN disclosed
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