SCHEMBL22642842

SCHEMBL22642842

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)N[C@@H](Cc1cc(Br)ccc1F)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ HTRA1 Q92743 1/20 0.36
▸ AAK1 Q2M2I8 3/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ GPR119 Q8TDV5 6/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 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
SCHEMBL16078799 1.00 PREP (0.40) PREPDPP4HTRA1AAK1USP30
SCHEMBL18643728 0.93 PREP (0.42) PREPDPP4HTRA1AAK1USP30
SCHEMBL16064115 0.93 PREP (0.42) PREPDPP4HTRA1AAK1USP30
SCHEMBL15081660 0.86 PREP (0.44) PREPHTRA1CHRM2CHRM1CHRM3
SCHEMBL22642845 0.86 CTSC (0.43) PREP
SCHEMBL16064430 0.86 CTSC (0.43) PREP
SCHEMBL22642840 0.85 DPP4 (0.33) DPP4HTRA1AAK1SCN9A
SCHEMBL22643283 0.84 PREP (0.41) PREPDPP4HTRA1GPR119CHRM2
SCHEMBL16064424 0.84 PREP (0.41) PREPDPP4HTRA1GPR119CHRM2
SCHEMBL26079728 0.83 PREP (0.43) PREPDPP4HTRA1AAK1USP30

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
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