SCHEMBL29048261

SCHEMBL29048261

N#Cc1cncc(C2CCON2C(=O)C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.50
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
CHRNA1 P02708 3/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRND Q07001 1/20 0.37
CHRNA2 Q15822 1/20 0.37
DGAT2 Q96PD7 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CHRM4 P08173 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
SCD5 Q86SK9 1/20 0.32
FASN P49327 1/20 0.32
CPT1A P50416 1/20 0.32

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
SCHEMBL29048260 1.00 RIPK1 (0.50) RIPK1PIK3CDPIK3CACHRNA1CHRNB4
SCHEMBL25816557 0.87 RIPK1 (0.48) RIPK1PIK3CDPIK3CACHRNA1CHRNB4
SCHEMBL29048252 0.86 RIPK1 (0.43) RIPK1CHRNA1CHRNB4CHRNA3CHRNB2
SCHEMBL18921452 0.86 RIPK1 (0.43) RIPK1CHRNA1CHRNB4CHRNA3CHRNB2
SCHEMBL25303343 0.85 GPR119 (0.49) RIPK1GPR119
SCHEMBL30338800 0.85 GPR119 (0.49) RIPK1GPR119
SCHEMBL30338852 0.84 RIPK1 (0.42) RIPK1PIK3CDPIK3CACHRNA1CHRNB4
SCHEMBL31205667 0.84 RIPK1 (0.52) RIPK1
SCHEMBL31196395 0.83 RIPK1 (0.46) RIPK1PIK3CDPIK3CACHRNA1CHRNB4
SCHEMBL31200215 0.83 RIPK1 (0.46) RIPK1PIK3CDPIK3CACHRNA1CHRNB4

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-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed