SCHEMBL29060412

SCHEMBL29060412

CC(C)CC1CCC(=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.37
ADAM17 P78536 1/20 0.37
NR1H2 P55055 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
KDM4E B2RXH2 2/20 0.34
THRB P10828 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
KMT2A Q03164 1/20 0.33
ELANE P08246 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
SCHEMBL24365642 0.85 NR1H2 (0.39) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL24365332 0.81 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL25092184 0.80 FAAH (0.36) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL24364142 0.80 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL15570996 0.80 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL25092185 0.79 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL29060382 0.79 CHRM2 (0.39) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL25037249 0.79 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL29067864 0.78 GLA (0.36) NR1H2CHRM2CHRM1CHRM3MAPT
SCHEMBL31126748 0.77 ALDH1A1 (0.38) NR1H2CHRM2CHRM1CHRM3MAPT

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-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed