SCHEMBL22643077

SCHEMBL22643077

Cc1noc(C)c1-c1ccc(C[C@@H](N)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 6/20 0.48
▸ CTSK P43235 5/20 0.48
▸ PREP P48147 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ FFAR1 O14842 5/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ CREBBP Q92793 2/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 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
SCHEMBL16064332 0.89 CTSC (0.63) CTSCCTSK
SCHEMBL22643251 0.85 CTSC (0.47) CTSCCTSKPREPDPP4
SCHEMBL22642792 0.85 CTSC (0.49) CTSCCTSKPREPDPP4
SCHEMBL22643115 0.84 CTSC (0.45) CTSCCTSKPREPGPR119DPP4
SCHEMBL22643180 0.84 CTSC (0.49) CTSCCTSKPREPDPP4
SCHEMBL22642801 0.84 CTSC (0.48) CTSCCTSKPREPGPR119DPP4
SCHEMBL22642810 0.83 PREP (0.39) CTSCCTSKPREPDPP4
SCHEMBL22642850 0.83 CTSC (0.51) CTSCCTSKPREPDPP4
SCHEMBL26079728 0.83 PREP (0.43) CTSCCTSKPREPGPR119AAK1
SCHEMBL22643244 0.82 CTSC (0.51) CTSCCTSK

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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