SCHEMBL22643143

SCHEMBL22643143

CC(C)(C)OC(=O)N1C2CCC(C2)[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.56
CHRM1 P11229 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
ELANE P08246 1/20 0.35
HSD11B1 P28845 1/20 0.34
HTRA1 Q92743 1/20 0.34
NR1H2 P55055 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DPP4 P27487 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR119 Q8TDV5 3/20 0.31

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
SCHEMBL22642849 1.00 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL22643309 1.00 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL30147235 0.83 PREP (0.62) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL22642834 0.83 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL22642833 0.83 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL22642802 0.83 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL19186799 0.83 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL22643297 0.83 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL22643140 0.83 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE
SCHEMBL22643111 0.83 PREP (0.56) PREPCHRM1CHRM2CHRM3ELANE

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-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 EP disclosed