SCHEMBL28989263

SCHEMBL28989263

CC(C)(C)OC(=O)N1CCCO[C@H](C(=O)NC(C#N)Cc2ccc(-c3ccc4c(c3)CCNC4=O)cc2F)C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.56
▸ CTSK P43235 12/20 0.56

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
SCHEMBL26781651 1.00 CTSC (0.56) CTSCCTSK
SCHEMBL28989298 1.00 CTSC (0.56) CTSCCTSK
SCHEMBL31758852 0.91 CTSC (0.55) CTSCCTSK
SCHEMBL28989451 0.90 CTSC (0.54) CTSCCTSK
SCHEMBL28989391 0.90 CTSC (0.54) CTSCCTSK
SCHEMBL28989389 0.90 CTSC (0.54) CTSCCTSK
SCHEMBL28989370 0.89 CTSC (0.58) CTSCCTSK
SCHEMBL28989373 0.89 CTSC (0.58) CTSCCTSK
SCHEMBL28989375 0.89 CTSC (0.58) CTSCCTSK
SCHEMBL28989487 0.87 CTSC (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996923-A Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof 四川海思科制药有限公司 2023-04-21 — — CN disclosed
WO-2022042591-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF 四川海思科制药有限公司 2022-03-03 — — WO disclosed
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