SCHEMBL3036190

CC(C)[C@@H](C(=O)N(c1ccccc1)[C@H](C#N)Cc1ccc(C#N)cc1F)N(CC(F)(F)F)c1ccc(-c2ccc([C@@H](O)C(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	6/20	0.51

▸	CTSB	P07858	6/20	0.51

▸	CTSF	Q9UBX1	6/20	0.51

▸	CTSK	P43235	5/20	0.51

▸	CTSV	O60911	3/20	0.51

▸	CTSS	P25774	3/20	0.51

▸	EP300	Q09472	2/20	0.32

▸	PGR	P06401	1/20	0.31

▸	AR	P10275	1/20	0.31

▸	NR1I2	O75469	1/20	0.30

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
SCHEMBL2921216	0.83	CTSL (0.68)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL2922410	0.75	CTSL (0.56)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL3036191	0.73	CTSL (0.56)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL12999166	0.68	CTSL (0.79)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL3767031	0.67	CTSL (1.00)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL3767027	0.67	CTSL (1.00)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL2919168	0.67	CTSL (1.00)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL3754994	0.62	CTSL (0.75)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL3754997	0.62	CTSL (0.75)	CTSLCTSBCTSFCTSKCTSV
SCHEMBL3754993	0.62	CTSL (0.75)	CTSLCTSBCTSFCTSKCTSV

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2225196-A1	CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES	Merck Frosst Canada Ltd. (CA)	2010-09-08	—	—	EP	disclosed
WO-2009067797-A1	CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES	MERCK FROSST CANADA LTD. (CA)	2009-06-04	—	—	WO	disclosed