SCHEMBL30475895

SCHEMBL30475895

CC(C)(C)OC(=O)C(N)Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.55
SLC1A1 P43005 2/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
ROCK2 O75116 1/20 0.45
DPP4 P27487 3/20 0.44
DPP7 Q9UHL4 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
MAOB P27338 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.42
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL10561439 1.00 SLC7A5 (0.55) SLC7A5SLC1A1CTSSCTSKROCK2
SCHEMBL19664048 1.00 SLC7A5 (0.55) SLC7A5SLC1A1CTSSCTSKROCK2
SCHEMBL18788872 0.84 SLC7A5 (0.56) SLC7A5
SCHEMBL27525604 0.84 SLC7A5 (0.56) SLC7A5
SCHEMBL18481474 0.84 SLC7A5 (0.56) SLC7A5MAOB
SCHEMBL3028647 0.84 SLC7A5 (0.56) SLC7A5
SCHEMBL75362 0.84 SLC1A1 (0.55) SLC7A5SLC1A1ROCK2DPP4DPP7
SCHEMBL6162540 0.84 SLC1A1 (0.55) SLC7A5SLC1A1ROCK2DPP4DPP7
SCHEMBL5739966 0.84 SLC1A1 (0.55) SLC7A5SLC1A1ROCK2DPP4DPP7
SCHEMBL10557764 0.84 HTR2A (0.58) SLC7A5DPP4DPP7DPP8DPP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348109-B Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2025-01-21 CN disclosed
CN-116348109-A Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2023-06-27 CN disclosed