SCHEMBL30730146

SCHEMBL30730146

CCOC(=O)C(C)c1cccc(C2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.45
DRD2 P14416 9/20 0.45
DRD4 P21917 9/20 0.45
KCNH2 Q12809 2/20 0.45
IRAK4 Q9NWZ3 5/20 0.42
CNR2 P34972 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
IDH1 O75874 1/20 0.37
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL27362243 0.80 HTR1A (0.41) HTR1ADRD2DRD4KCNH2IRAK4
SCHEMBL30730035 0.79 HTR1A (0.46) HTR1ADRD2DRD4KCNH2IRAK4
SCHEMBL23006094 0.77 HTR1A (0.44) HTR1ADRD2DRD4KCNH2IRAK4
SCHEMBL30730324 0.77 CNR2 (0.42) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL2545447 0.74 ALDH1A1 (0.42) ALDH1A1GAAKMT2ATSHR
SCHEMBL2545445 0.74 ALDH1A1 (0.42) ALDH1A1GAAKMT2ATSHR
SCHEMBL17730071 0.73 HTR1A (0.43) HTR1ADRD2DRD4KCNH2IRAK4
SCHEMBL30404315 0.73 CYP1A2 (0.45) ALDH1A1GAAHPGDKMT2ATSHR
SCHEMBL31096150 0.72 CYP1A2 (0.44) IRAK4ALDH1A1GAAHPGDKMT2A
SCHEMBL2183402 0.72 CYP1A2 (0.44) ALDH1A1GAAHPGDKMT2ATSHR

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-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed