SCHEMBL29514535

SCHEMBL29514535

CC(C)(C)OC(=O)N1CCCNCC1c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RIPK1 Q13546 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
TSHR P16473 4/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL26115692 0.93 PARP1 (0.43) PARP1PRMT5WDR77ALDH1A1RIPK1
SCHEMBL29328639 0.85 HDAC1 (0.43) PARP1ALDH1A1RIPK1NR1H2NR1H3
SCHEMBL3261075 0.84 PRMT5 (0.53) PRMT5WDR77ALDH1A1RIPK1GPR119
SCHEMBL29514552 0.81 RIPK1 (0.48) PRMT5WDR77ALDH1A1RIPK1GPR119
SCHEMBL5229321 0.81 GPR119 (0.43) PARP1PRMT5WDR77ALDH1A1RIPK1
SCHEMBL22285173 0.80 NR1H2 (0.49) PARP1RIPK1GPR119NR1H2NR1H3
SCHEMBL874416 0.80 NR1H2 (0.49) PARP1RIPK1GPR119NR1H2NR1H3
SCHEMBL4325057 0.80 NR1H2 (0.49) PARP1RIPK1GPR119NR1H2NR1H3
SCHEMBL28371859 0.79 GPR119 (0.46) ALDH1A1RIPK1GPR119LMNA
SCHEMBL29546006 0.79 GPR119 (0.46) ALDH1A1RIPK1GPR119LMNA

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
CN-114181205-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-03-15 CN disclosed