SCHEMBL3657671

SCHEMBL3657671

N#Cc1cccc(-c2ccc([C@@H](C#N)CNC(=O)C3CCN3C(=O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.44
MCHR1 Q99705 13/20 0.42
USP30 Q70CQ3 1/20 0.40
FFAR2 O15552 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
PAX8 Q06710 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL3662346 0.84 KMT2A (0.45) DPP4DPP8DPP9DPP7
SCHEMBL3661255 0.81 CTSC (0.47) CTSCMCHR1PAX8
SCHEMBL2076519 0.81 CTSC (0.64) CTSC
SCHEMBL3656005 0.80 CTSC (0.42) CTSC
SCHEMBL3652410 0.78 CTSC (0.42) CTSCMCHR1USP30DPP4DPP8
SCHEMBL3661348 0.74 FKBP1A (0.39) MMP13DPP4DPP7
SCHEMBL3702610 0.74 CTSC (0.41) CTSCMMP13
SCHEMBL3688512 0.73 CTSC (0.41) CTSCMMP13
SCHEMBL3657032 0.73 CTSC (0.49) CTSC
SCHEMBL3660901 0.72 CTSS (0.48) MCHR1MMP12MMP13

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
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 WO disclosed