SCHEMBL31628992

SCHEMBL31628992

CC1=C(C)C(=O)C2=C(CCC(CN3CCOCC3)CC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.44
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
OPRD1 P41143 1/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL31628910 0.84 SMN1; SMN2 (0.40) THRBADRA2ADRD2ADRA2BADRA2C
SCHEMBL31629036 0.82 ALDH1A1 (0.45) DRD2HTR2AHTR7HTR2BBLM
SCHEMBL14535216 0.74 CHRM5 (0.48) THRBADRA2CSMN1; SMN2GAAALDH1A1
SCHEMBL7562139 0.74 CHRM5 (0.48) THRBADRA2CSMN1; SMN2GAAALDH1A1
SCHEMBL21100815 0.71 THRB (0.41) THRBADRA2ADRD2ADRA2BADRA2C
SCHEMBL1515108 0.70 CHRM5 (0.62) THRBADRA2CCYP1A2SMN1; SMN2GAA
SCHEMBL18999837 0.70 CHRM5 (0.56) THRBADRA2CSMN1; SMN2GAAALDH1A1
SCHEMBL16128219 0.70 EBP (0.42) THRBADRA2CEBP
SCHEMBL6095095 0.70 HRH3 (0.40) THRBLMNAMAPTGAAALDH1A1
SCHEMBL3553370 0.70 ALDH1A1 (0.46) THRBADRA2CCYP3A4CYP2C19GAA

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-2025128893-A1 FUSED QUINONE COMPOUNDS ACUREX BIOSCIENCES CORPORATION (US) 2025-06-19 WO disclosed