SCHEMBL30968412

SCHEMBL30968412

C=CCOc1cc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)cc(F)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.39
JAK1 P23458 3/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HSD11B1 P28845 1/20 0.38
HDAC1 Q13547 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
DPP4 P27487 1/20 0.34
SCN9A Q15858 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
SCHEMBL20722487 1.00 GPR119 (0.39) GPR119JAK1JAK2TYK2JAK3
SCHEMBL20722761 0.94 JAK1 (0.40) GPR119JAK1JAK2TYK2JAK3
SCHEMBL30968410 0.94 JAK1 (0.40) GPR119JAK1JAK2TYK2JAK3
SCHEMBL20722587 0.86 PPOX (0.32)
SCHEMBL20722734 0.82 HSD11B1 (0.43) GPR119JAK1JAK2TYK2JAK3
SCHEMBL30968485 0.82 HSD11B1 (0.43) GPR119JAK1JAK2TYK2JAK3
SCHEMBL21685920 0.79 PPOX (0.33)
SCHEMBL24595748 0.76 CHRM2 (0.42) GPR119JAK1JAK2TYK2JAK3
SCHEMBL21457826 0.71 DPP4 (0.42) GPR119JAK1JAK2TYK2JAK3
SCHEMBL29577284 0.71 DPP4 (0.42) GPR119JAK1JAK2TYK2JAK3

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed