SCHEMBL30700601

SCHEMBL30700601

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1C=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PREP P48147 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL609346 1.00 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL24909283 1.00 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL609610 1.00 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL16584672 1.00 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL17097458 0.90 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL17098157 0.90 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL17097460 0.90 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL17056975 0.90 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL10145613 0.86 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3JAK2
SCHEMBL609152 0.86 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3JAK2

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
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed