SCHEMBL31375581

SCHEMBL31375581

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C4(C#N)CCN(C(=O)OCc5ccccc5)CC4)o3)cc2NC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 2/20 0.34
▸ TRPC7 Q9HCX4 2/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ ATXN2 Q99700 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ HTT P42858 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
SCHEMBL31628115 1.00 TRPC3 (0.34) TRPC3TRPC7GPR119ENPP2ATXN2
SCHEMBL31628207 0.86 GPR119 (0.35) TRPC3TRPC7GPR119ENPP2ATXN2
SCHEMBL31375547 0.86 GPR119 (0.35) TRPC3TRPC7GPR119ENPP2ATXN2
SCHEMBL31628259 0.85 GAA (0.33) GAA
SCHEMBL31375516 0.85 GAA (0.33) GAA
SCHEMBL31375494 0.80 MEN1 (0.35) ENPP2ATXN2ALDH1A1SMN1; SMN2PDE4B
SCHEMBL31628311 0.80 MEN1 (0.35) ENPP2ATXN2ALDH1A1SMN1; SMN2PDE4B
SCHEMBL26962039 0.77 XIAP (0.36) TRPC3TRPC7GPR119ALDH1A1PDE4B
SCHEMBL26962120 0.77 JAK2 (0.34) GPR119ENPP2SMN1; SMN2TBK1
SCHEMBL29797169 0.77 GAA (0.37) GAA

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