SCHEMBL31564530

SCHEMBL31564530

CC(C)(C)OC(=O)N[C@@H]1CCc2cscc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
CTSK P43235 2/20 0.45
BTK Q06187 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
DRD2 P14416 3/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
KCNA3 P22001 1/20 0.40

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
SCHEMBL31564729 1.00 EPHX2 (0.48) EPHX2CTSKBTKMTNR1AMTNR1B
SCHEMBL23519713 0.91 EPHX2 (0.52) EPHX2CTSKBTKDRD2KDM1A
SCHEMBL29565539 0.82 MTNR1A (0.66) EPHX2BTKMTNR1AMTNR1BDRD2
SCHEMBL3682479 0.82 MTNR1A (0.66) EPHX2BTKMTNR1AMTNR1BDRD2
SCHEMBL5677299 0.81 CA1 (0.64) EPHX2BTKMTNR1AMTNR1BDRD2
SCHEMBL9136687 0.81 CA1 (0.64) EPHX2BTKMTNR1AMTNR1BDRD2
SCHEMBL7399411 0.81 CA1 (0.64) EPHX2CTSKMTNR1AMTNR1BDRD2
SCHEMBL5722246 0.81 CA1 (0.64) EPHX2BTKMTNR1AMTNR1BDRD2
SCHEMBL31564068 0.80 EPHX2 (0.49) EPHX2CTSKBTKMTNR1AMTNR1B
SCHEMBL31563951 0.80 EPHX2 (0.49) EPHX2CTSKBTKMTNR1AMTNR1B

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
WO-2025097104-A1 THIENYL COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2025-05-08 WO disclosed