SCHEMBL27124677

SCHEMBL27124677

N#Cc1ccc(-c2ccc(CC(C#N)NC(=O)C3(Oc4ccccc4)CN(C(=O)O)C3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ LTB4R Q15722 1/20 0.52
▸ LTB4R2 Q9NPC1 1/20 0.52
▸ CTSK P43235 2/20 0.46

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
SCHEMBL26986875 1.00 CTSC (0.53) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL31670682 0.89 CTSC (0.48) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL27136158 0.86 CTSC (0.55) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL26986843 0.86 CTSC (0.55) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL26986771 0.80 CTSC (0.57) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL27128529 0.80 CTSC (0.57) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL27131713 0.77 CTSC (0.58) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL26986850 0.77 CTSC (0.58) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL26986879 0.76 CTSC (0.57) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL27131263 0.76 CTSC (0.57) 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-2024008680-A1 AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-11 — — WO disclosed
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