SCHEMBL25859739

SCHEMBL25859739

CC(C)(C)OC(=O)N1CCc2c(cnc3c2c(C2(O)CCC2)cn3SI)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ NAMPT P43490 5/20 0.36
▸ ACACB O00763 1/20 0.36
▸ MKNK1 Q9BUB5 5/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL25859580 0.86 MAPT (0.43) MAPTESR2NR1H2NAMPTACACB
SCHEMBL25428018 0.80 ESR2 (0.37) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL30381342 0.80 ESR2 (0.37) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL25428616 0.68 MAPT (0.45) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL30380944 0.68 MAPT (0.45) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL2487129 0.66 MAPT (0.46) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL25304050 0.66 HTR6 (0.39) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL31164759 0.65 MAPT (0.51) MAPTESR2NR1H2NAMPTUCHL1
SCHEMBL13273859 0.64 NR1H2 (0.53) MAPTESR2NR1H2NAMPTACACB
SCHEMBL2486452 0.64 NR1H2 (0.51) MAPTESR2NR1H2NAMPTACACB

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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