SCHEMBL31332791

SCHEMBL31332791

COC(=O)/C=C1\CC2CCC1C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.42
SLC6A4 P31645 6/20 0.40
SLC6A2 P23975 3/20 0.34
ESR1 P03372 1/20 0.32
TSHR P16473 2/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL29635938 0.83 ESR2 (0.43) SLC6A3SLC6A4ESR1HCAR2
SCHEMBL27864843 0.83 ESR2 (0.43) SLC6A3SLC6A4ESR1HCAR2
SCHEMBL28032986 0.83 SMN1; SMN2 (0.45) SLC6A3SLC6A4TSHR
SCHEMBL22552682 0.78 TSHR (0.48) SLC6A3SLC6A4TSHR
SCHEMBL20819995 0.78 TSHR (0.48) SLC6A3SLC6A4TSHR
SCHEMBL20819997 0.78 TSHR (0.48) SLC6A3SLC6A4TSHR
SCHEMBL27593184 0.76 MAPT (0.33) SLC6A3TSHR
SCHEMBL27565158 0.76 SLC6A3 (0.31) SLC6A3
SCHEMBL32688998 0.76 SLC6A3 (0.43) SLC6A3SLC6A4
SCHEMBL10394107 0.72 SLC6A3 (0.43) SLC6A3SLC6A4ESR1

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
EP-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed