SCHEMBL24016459

SCHEMBL24016459

CC(=O)NCc1cc2ncccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 7/20 0.56
▸ MTNR1B P49286 6/20 0.56
▸ DAO P14920 1/20 0.47
▸ ATAD2 Q6PL18 1/20 0.47
▸ HTT P42858 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.43
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ GCK P35557 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATR Q13535 1/20 0.39

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
SCHEMBL27144888 0.87 DAO (0.48) MTNR1AMTNR1BDAOATAD2HRH4
SCHEMBL25587553 0.85 DAO (0.43) MTNR1AMTNR1BDAOATAD2HRH4
SCHEMBL29865238 0.83 ATAD2 (0.49) MTNR1AMTNR1BDAOATAD2HRH4
SCHEMBL30759248 0.82 BCHE (0.49) MTNR1AMTNR1BDAOATAD2PRMT5
SCHEMBL18361821 0.78 RIPK1 (0.48) MTNR1AMTNR1BDAOHRH4L3MBTL1
SCHEMBL3429551 0.76 DAO (0.51) DAOATAD2HRH4PRMT5WDR77
SCHEMBL13415981 0.76 MTNR1A (0.73) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL12677225 0.75 ATAD2 (0.53) DAOATAD2HRH4CNR2NPSR1
SCHEMBL30040118 0.75 DAO (0.53) DAOATAD2HRH4PRMT5WDR77
SCHEMBL9396748 0.75 DAO (0.53) DAOATAD2HRH4PRMT5WDR77

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-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 — — WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 — — WO disclosed
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