SCHEMBL22642802

SCHEMBL22642802

CC(C)(C)OC(=O)N1[C@@H]2CCC(C2)[C@H]1C(=O)NCC#N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.56
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CTSK P43235 7/20 0.39
CTSS P25774 6/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.35
ELANE P08246 1/20 0.35
HSD11B1 P28845 1/20 0.34
NR1H2 P55055 1/20 0.34
CTSB P07858 2/20 0.34
GPR119 Q8TDV5 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
SCHEMBL22642833 1.00 PREP (0.56) PREPCHRM2CHRM1CHRM3CTSK
SCHEMBL22642834 1.00 PREP (0.56) PREPCHRM2CHRM1CHRM3CTSK
SCHEMBL22643140 1.00 PREP (0.56) PREPCHRM2CHRM1CHRM3CTSK
SCHEMBL19186799 1.00 PREP (0.56) PREPCHRM2CHRM1CHRM3CTSK
SCHEMBL22643297 1.00 PREP (0.56) PREPCHRM2CHRM1CHRM3CTSK
SCHEMBL22643111 1.00 PREP (0.56) PREPCHRM2CHRM1CHRM3CTSK
SCHEMBL22642849 0.83 PREP (0.56) PREPCHRM2CHRM1CHRM3DPP4
SCHEMBL22643309 0.83 PREP (0.56) PREPCHRM2CHRM1CHRM3DPP4
SCHEMBL22643143 0.83 PREP (0.56) PREPCHRM2CHRM1CHRM3DPP4
SCHEMBL13910744 0.82 PREP (0.64) PREPCHRM2CHRM1CHRM3DPP4

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