SCHEMBL26518320

SCHEMBL26518320

CNC1(C(=O)NC(C#N)Cc2ccc3c(c2)CCCC3)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 15/20 0.48
KCNH2 Q12809 2/20 0.48
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
CTSK P43235 2/20 0.47
CTSS P25774 2/20 0.40
MRE11 P49959 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL24502952 0.90 CTSC (0.38) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL24502842 0.85 CTSC (0.67) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL30601595 0.85 CTSC (0.67) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL24502269 0.85 CTSC (0.67) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL24502954 0.85 CTSC (0.67) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL24502953 0.85 CTSC (0.43) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL24502256 0.84 CTSC (0.66) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL24502237 0.84 CTSC (0.66) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL30601586 0.84 CTSC (0.66) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL24502868 0.84 CTSC (0.66) CTSCKCNH2LTB4RLTB4R2CTSK

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-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed