SCHEMBL30339898

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	3/20	0.53

▸	CTSS	P25774	3/20	0.53

▸	CTSK	P43235	3/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	APLNR	P35414	2/20	0.49

▸	OPRM1	P35372	6/20	0.48

▸	OPRK1	P41145	6/20	0.48

▸	C5AR1	P21730	1/20	0.48

▸	RAMP3	O60896	3/20	0.46

▸	CALCR	P30988	3/20	0.46

▸	EPHA2	P29317	2/20	0.46

▸	CXCR4	P61073	1/20	0.45

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
SCHEMBL31683844	0.93	APLNR (0.46)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30504860	0.91	C5AR1 (0.52)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30339782	0.91	CTSL (0.55)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30229960	0.90	CTSL (0.51)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL31265397	0.90	CTSL (0.57)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL29607754	0.90	APLNR (0.56)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL29606819	0.89	APLNR (0.57)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL29607035	0.89	APLNR (0.55)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL29592537	0.89	SLC6A2 (0.47)	OPRM1OPRK1
SCHEMBL34464614	0.89	CTSL (0.50)	CTSLCTSSCTSKCTSHAPLNR

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-4157309-A1	COMPOSITIONS AND METHODS FOR TREATING INFECTIONS AND NETOPATHY	Black Cat Bio Limited (GB)	2023-04-05	—	—	EP	disclosed