SCHEMBL31375547

SCHEMBL31375547

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C4(F)CCCN(C(=O)OCc5ccccc5)C4)o3)cc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.35
▸ USP30 Q70CQ3 5/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ TRPC3 Q13507 2/20 0.34
▸ TRPC7 Q9HCX4 2/20 0.34
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ ATXN2 Q99700 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ PDK2 Q15119 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
SCHEMBL31628207 1.00 GPR119 (0.35) GPR119USP30PDE4BTRPC3TRPC7
SCHEMBL31375581 0.86 TRPC3 (0.34) GPR119PDE4BTRPC3TRPC7PARP1
SCHEMBL31628115 0.86 TRPC3 (0.34) GPR119PDE4BTRPC3TRPC7PARP1
SCHEMBL31375588 0.80 USP30 (0.35) USP30PDE4BCTSDBACE1PARP1
SCHEMBL31628135 0.80 USP30 (0.35) USP30PDE4BCTSDBACE1PARP1
SCHEMBL31375572 0.77 GAA (0.34) GAABRD4
SCHEMBL31628193 0.77 GAA (0.34) GAABRD4
SCHEMBL31375516 0.76 GAA (0.33) GAABRD4
SCHEMBL31628259 0.76 GAA (0.33) GAABRD4
SCHEMBL30675704 0.76 USP30 (0.36) USP30CTSDBACE1

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-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN disclosed
Send feedback