SCHEMBL21233243

SCHEMBL21233243

CN[C@H](Cc1ccc(Br)cc1F)NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.43
▸ DPP4 P27487 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.37
▸ AAK1 Q2M2I8 4/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ CTSK P43235 3/20 0.33
▸ CTSC P53634 3/20 0.33
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL26079728 0.89 PREP (0.43) PREPDPP4USP30AAK1P2RX7
SCHEMBL21233252 0.89 PREP (0.41) PREPDPP4CHRM2CHRM1CHRM3
SCHEMBL18643728 0.88 PREP (0.42) PREPDPP4USP30AAK1P2RX7
SCHEMBL16064115 0.88 PREP (0.42) PREPDPP4USP30AAK1P2RX7
SCHEMBL22642902 0.87 CTSC (0.46) CTSKCTSC
SCHEMBL16064313 0.87 CTSC (0.46) CTSKCTSC
SCHEMBL16064323 0.87 CTSC (0.46) CTSKCTSC
SCHEMBL21172930 0.85 PREP (0.40) PREPDPP4USP30AAK1P2RX7
SCHEMBL16078799 0.81 PREP (0.40) PREPDPP4USP30AAK1CHRM2
SCHEMBL22642842 0.81 PREP (0.40) PREPDPP4USP30AAK1CHRM2

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-3191487-B1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-08-07 — — EP disclosed
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