SCHEMBL31536734

SCHEMBL31536734

CNC1(C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 0.74
KCNH2 Q12809 5/20 0.74
LTB4R Q15722 1/20 0.74
LTB4R2 Q9NPC1 1/20 0.74
CTSK P43235 2/20 0.50

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
SCHEMBL289515 0.88 CTSC (0.72) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL31536763 0.85 CTSC (0.74) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2890855 0.85 CTSC (1.00) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2890859 0.85 CTSC (1.00) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2889383 0.85 CTSC (0.64) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2889385 0.85 CTSC (0.64) CTSCKCNH2LTB4RLTB4R2CTSK
Dioxane SCHEMBL2891129 0.84 CTSC (0.98) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2891127 0.81 CTSC (0.92) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL26518320 0.80 CTSC (0.48) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2884861 0.79 CTSC (0.61) 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
WO-2025059526-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2025-03-20 WO disclosed