SCHEMBL22143680

SCHEMBL22143680

COC(=O)C(Cc1cc(C#N)ccc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.45
▸ CTSS P25774 17/20 0.44
▸ CTSK P43235 16/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ CTSB P07858 4/20 0.43
▸ TACR1 P25103 1/20 0.40

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
SCHEMBL22143600 1.00 CTSL (0.45) CTSLCTSSCTSKKLK5CTSB
SCHEMBL29894876 1.00 CTSL (0.45) CTSLCTSSCTSKKLK5CTSB
SCHEMBL25152801 0.91 CTSL (0.45) CTSLCTSSCTSKKLK5CTSB
SCHEMBL22125812 0.90 CTSS (0.48) CTSLCTSSCTSKCTSB
SCHEMBL22125814 0.90 CTSS (0.48) CTSLCTSSCTSKCTSB
SCHEMBL31277258 0.85 MAPT (0.49) CTSLCTSSCTSKKLK5TACR1
SCHEMBL18930698 0.85 CTSS (0.44) CTSLCTSSCTSKKLK5CTSB
SCHEMBL21144829 0.85 CTSS (0.44) CTSLCTSSCTSKKLK5CTSB
SCHEMBL21144758 0.85 TACR1 (0.46) CTSLCTSSCTSKKLK5CTSB
SCHEMBL18930474 0.85 TACR1 (0.46) CTSLCTSSCTSKKLK5CTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164448-A Amino acid anilines as small molecule modulators of IL-17 利奥制药有限公司 2021-07-23 — — CN disclosed
WO-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 — — WO disclosed
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