SCHEMBL29908490

SCHEMBL29908490

CN1CC2COc3cccnc3N2C1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 18/20 0.38
NR3C2 P08235 1/20 0.37
LTA4H P09960 1/20 0.34

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
SCHEMBL29908470 0.79 NOTUM (0.42) RIPK1NR3C2LTA4H
SCHEMBL11558878 0.77 NOTUM (0.41) RIPK1
SCHEMBL29908423 0.76 NR3C2 (0.39) RIPK1NR3C2LTA4H
SCHEMBL29908458 0.75 PARP1 (0.39) RIPK1NR3C2LTA4H
SCHEMBL30250644 0.71 CHRNB4 (0.36) RIPK1NR3C2LTA4H
SCHEMBL31025716 0.71 CHRNB4 (0.36) RIPK1NR3C2LTA4H
SCHEMBL24640361 0.71 HTR2A (0.45) RIPK1NR3C2LTA4H
SCHEMBL24640162 0.71 HTR2A (0.45) RIPK1NR3C2LTA4H
SCHEMBL25551288 0.70 RIPK1 (0.47) RIPK1
SCHEMBL25551290 0.70 RIPK1 (0.47) RIPK1

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-115028649-A Tricyclic compound, pharmaceutical composition containing same and use thereof 四川科伦博泰生物医药股份有限公司 2022-09-09 CN disclosed