SCHEMBL30968408

SCHEMBL30968408

CC(C)(C)OC(=O)N1C2CCC1(c1cc(F)c3c(c1F)CCCC3)CNC2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.33
BRD3 Q15059 2/20 0.33
DPP4 P27487 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PARP1 P09874 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30

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
SCHEMBL30968556 0.89 DPP4 (0.32) DPP4GPR119
SCHEMBL30968539 0.88 HTR2A (0.32) HRH3BRD3
SCHEMBL30968464 0.83 BRD3 (0.30) BRD3
SCHEMBL30741108 0.82 HRH3 (0.32) HRH3DPP4DDB1CRBNSMN1; SMN2
SCHEMBL30741098 0.81 PSEN1 (0.39) HRH3BRD3GPR119DDB1CRBN
SCHEMBL30741063 0.79 DPP4 (0.39) HRH3DPP4GPR119
SCHEMBL30968458 0.79 CA1 (0.41) DPP4PARP1
SCHEMBL30968407 0.78 GPR119 (0.31) GPR119
SCHEMBL30968553 0.77 ACHE (0.33) DPP4NPC1RAB9AGPR119DDB1
SCHEMBL30968422 0.73

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