SCHEMBL31563993

SCHEMBL31563993

CN(C(=O)OC(C)(C)C)[C@@H]1CCc2cc(Cl)sc2C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
KDM4D Q6B0I6 1/20 0.32
ASGR1 P07306 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
NPY5R Q15761 1/20 0.32
KCNQ2 O43526 2/20 0.31
DRD1 P21728 1/20 0.31
ACHE P22303 2/20 0.31
KAT6A Q92794 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
MT-CO2 P00403 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL31563996 1.00 HSD11B1 (0.33) HSD11B1KDM4DASGR1DRD2DRD4
SCHEMBL31563889 0.90 NPC1 (0.35) HSD11B1KDM4DDRD2DRD4DRD3
SCHEMBL31564374 0.86 HSD11B1 (0.34) HSD11B1KDM4DASGR1DRD2DRD4
SCHEMBL31564466 0.86 ADORA2A (0.35) HSD11B1KDM4DASGR1DRD2DRD4
SCHEMBL31563832 0.85 HSD11B1 (0.33) HSD11B1KDM4DASGR1DRD2NPY5R
SCHEMBL31564424 0.85 PNMT (0.35) HSD11B1KDM4DASGR1DRD2NPY5R
SCHEMBL31564057 0.84 KCNQ2 (0.33) HSD11B1KDM4DASGR1DRD2NPY5R
SCHEMBL31563886 0.84 ALDH1A1 (0.43) HSD11B1KDM4DASGR1NPY5R
SCHEMBL31564435 0.84 KCNQ2 (0.33) HSD11B1KDM4DASGR1DRD2NPY5R
SCHEMBL31563985 0.82 PNMT (0.39) HSD11B1KDM4DASGR1NPY5RKCNQ2

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