SCHEMBL30853294

SCHEMBL30853294

CC(C)(C)OC(=O)N1C2CC1CN(C1CCNCC1)C2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
PREP P48147 4/20 0.40
NR1H2 P55055 1/20 0.40
HSD11B1 P28845 2/20 0.40
AR P10275 1/20 0.35
JAK1 P23458 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
SPR P35270 1/20 0.34
HPGD P15428 1/20 0.33
KAT2B Q92831 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
SCHEMBL22181639 0.92 CHRM2 (0.55) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL30853288 0.91 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL30853292 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL15725772 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL26361913 0.84 CHRM2 (0.64) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL26924922 0.82 CHRM2 (0.48) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL25343472 0.80 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL16446458 0.79 CHRNB2 (0.34)
SCHEMBL24670611 0.78 HRH3 (0.40) CHRM2CHRM1CHRM3NR1H2HPGD
SCHEMBL30853293 0.77 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2

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
CN-112574201-B Arylamine compound, pharmaceutical composition containing arylamine compound, and preparation method and application of arylamine compound 四川科伦博泰生物医药股份有限公司 2024-04-19 CN disclosed