SCHEMBL25344924

SCHEMBL25344924

CC(C)(C)OC(=O)N1C2CC1CN(C(=O)C(F)(F)F)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
NR1H2 P55055 1/20 0.41
PREP P48147 4/20 0.41
HSD11B1 P28845 2/20 0.38
SPR P35270 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.34
CETP P11597 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 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
SCHEMBL929357 0.91 CHRM2 (0.55) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL1979233 0.89 NR1H2 (0.49) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL18702051 0.87 CHRM2 (0.54) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL18711901 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL1711297 0.80 HSD11B1 (0.39) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL30276651 0.79 NR1H2 (0.55) NR1H2USP2SMN1; SMN2RORCGPR119
SCHEMBL30276459 0.79 NR1H2 (0.55) NR1H2USP2SMN1; SMN2RORCGPR119
SCHEMBL18713026 0.78 CHRM2 (0.59) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL25896209 0.78 CHRM2 (0.59) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL31309864 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3NR1H2PREP

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-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed