SCHEMBL27265016

SCHEMBL27265016

CC(C)c1ccc(CN)cc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
CSNK2A1 P68400 4/20 0.36
DRD2 P14416 1/20 0.32
IDO1 P14902 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL16955298 0.83 SLC6A2 (0.37) NUDT1BACE1DRD2
SCHEMBL23278109 0.80 GSR (0.45) HRH3
SCHEMBL27261887 0.77 NUDT1 (0.39) NUDT1BACE1CSNK2A1DRD2HRH3
SCHEMBL19658033 0.75 CSNK2A1 (0.43) CSNK2A1HRH3
SCHEMBL16960235 0.74 TRPA1 (0.48)
SCHEMBL62964 0.73 NUDT1 (0.42) NUDT1BACE1CSNK2A1
SCHEMBL21756929 0.73 GABRA1 (0.36)
SCHEMBL26080932 0.73 PTGDR2 (0.42)
SCHEMBL16960232 0.73 TRPA1 (0.31)
SCHEMBL10094428 0.73 F2RL1 (0.43) IDO1

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-2023201282-A1 NOVEL GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-19 WO disclosed