SCHEMBL29038874

SCHEMBL29038874

N#Cc1ccc(-c2ccc(CC(C#N)NC(=O)[C@H]3CNCCCO3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00
▸ KCNH2 Q12809 2/20 1.00

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
SCHEMBL16932269 1.00 CTSC (1.00) CTSCKCNH2
SCHEMBL21924552 1.00 CTSC (1.00) CTSCKCNH2
SCHEMBL16940410 1.00 CTSC (1.00) CTSCKCNH2
SCHEMBL16932323 1.00 CTSC (1.00) CTSCKCNH2
SCHEMBL23700754 0.91 CTSC (1.00) CTSCKCNH2
SCHEMBL16932325 0.91 CTSC (1.00) CTSCKCNH2
SCHEMBL19571177 0.89 CTSC (0.81) CTSCKCNH2
SCHEMBL29038845 0.89 CTSC (0.79) CTSCKCNH2
SCHEMBL16932326 0.89 CTSC (1.00) CTSCKCNH2
SCHEMBL29038844 0.89 CTSC (0.79) CTSCKCNH2

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
CN-110483492-B Dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2023-07-21 — — CN disclosed
Send feedback