SCHEMBL20384073

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](Cc1ccc(C2=C[C@H]3CN(Cc4ccccc4)CC3C2)cc1F)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	HTRA1	Q92743	1/20	0.38

▸	XIAP	P98170	2/20	0.35

▸	SCN9A	Q15858	1/20	0.34

▸	CTSC	P53634	4/20	0.33

▸	PREP	P48147	1/20	0.33

▸	CTSK	P43235	3/20	0.33

▸	CCKBR	P32239	1/20	0.33

▸	MCL1	Q07820	4/20	0.32

▸	MAPK1	P28482	1/20	0.31

▸	DPP4	P27487	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
SCHEMBL20384074	1.00	HTRA1 (0.38)	HTRA1XIAPSCN9ACTSCPREP
SCHEMBL17485287	1.00	HTRA1 (0.38)	HTRA1XIAPSCN9ACTSCPREP
SCHEMBL20384081	0.89	HTRA1 (0.37)	HTRA1XIAPSCN9ACTSCPREP
SCHEMBL16078767	0.89	HTRA1 (0.37)	HTRA1XIAPSCN9ACTSCPREP
SCHEMBL16064063	0.87	HTRA1 (0.37)	HTRA1XIAPSCN9ACTSCPREP
SCHEMBL16064478	0.84	CTSC (0.39)	HTRA1XIAPSCN9ACTSCPREP
SCHEMBL20384132	0.84	CTSC (0.39)	HTRA1XIAPSCN9ACTSCPREP
SCHEMBL16064205	0.81	CTSC (0.46)	HTRA1XIAPCTSCPREPMCL1
SCHEMBL16064451	0.80	CTSC (0.51)	HTRA1XIAPCTSCPREPCTSK
SCHEMBL16064477	0.79	CTSC (0.39)	HTRA1XIAPSCN9ACTSCPREP

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3174879-B1	SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C	BOEHRINGER INGELHEIM INT (DE)	2018-07-18	—	—	EP	disclosed