SCHEMBL29048252

SCHEMBL29048252

N#Cc1cncc(C2CCON2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.43
CHRNB4 P30926 5/20 0.38
CHRNA3 P32297 5/20 0.38
CHRNB2 P17787 5/20 0.38
CHRNA4 P43681 5/20 0.38
CHRNA1 P02708 3/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRND Q07001 1/20 0.38
CHRNA2 Q15822 1/20 0.38
CYP11B2 P19099 2/20 0.34
SCD5 Q86SK9 2/20 0.33
CPT1A P50416 1/20 0.33
CYP11B1 P15538 1/20 0.33
SCD O00767 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
SCHEMBL18921452 1.00 RIPK1 (0.43) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29048261 0.86 RIPK1 (0.50) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29048260 0.86 RIPK1 (0.50) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL25816557 0.85 RIPK1 (0.48) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18921369 0.85 RIPK1 (0.40) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20580234 0.84 RIPK1 (0.40) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30339751 0.83 GPR119 (0.44) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29966726 0.83 GPR119 (0.44) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20580385 0.83 RIPK1 (0.39) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30547538 0.83 GPR119 (0.44) RIPK1CHRNB4CHRNA3CHRNB2CHRNA4

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