SCHEMBL29048236

SCHEMBL29048236

CC(C)(C)OC(=O)N1OCC[C@@H]1c1ccc(C#N)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.41
KDM4D Q6B0I6 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SCD5 Q86SK9 1/20 0.38
EGLN2 Q96KS0 2/20 0.37
USP30 Q70CQ3 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL25816599 1.00 GPR119 (0.41) GPR119KDM4DIRAK4SCD5EGLN2
SCHEMBL30547518 1.00 GPR119 (0.41) GPR119KDM4DIRAK4SCD5EGLN2
SCHEMBL30339030 1.00 GPR119 (0.41) GPR119KDM4DIRAK4SCD5EGLN2
Hydrochloric Acid SCHEMBL30338907 0.90 GPR119 (0.35) GPR119KDM4DIRAK4SCD5EGLN2
SCHEMBL30338607 0.83 MEN1 (0.37)
SCHEMBL25816517 0.83 MEN1 (0.37)
SCHEMBL28243039 0.83 GPR119 (0.47) GPR119KDM4DIRAK4SCD5EGLN2
SCHEMBL18921324 0.83 GPR119 (0.47) GPR119KDM4DIRAK4SCD5EGLN2
SCHEMBL30547535 0.82 GPR119 (0.40) GPR119KDM4DIRAK4SCD5EGLN2
SCHEMBL25816597 0.82 GPR119 (0.40) GPR119KDM4DIRAK4SCD5EGLN2

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