SCHEMBL8365147

C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	3/20	0.48

▸	CTSS	P25774	3/20	0.48

▸	CTSK	P43235	3/20	0.48

▸	CTSH	P09668	1/20	0.48

▸	F2	P00734	4/20	0.47

▸	CALCR	P30988	9/20	0.46

▸	HCRTR1	O43613	1/20	0.45

▸	HCRTR2	O43614	1/20	0.45

▸	APLNR	P35414	1/20	0.45

▸	OPRM1	P35372	1/20	0.41

▸	OPRD1	P41143	1/20	0.41

▸	RAMP3	O60896	5/20	0.41

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
SCHEMBL30542895	0.86	CTSL (0.43)	CTSLCTSSCTSKCTSHF2
SCHEMBL30974080	0.81	F2 (0.46)	CTSLCTSSCTSKCTSHF2
SCHEMBL31453820	0.80	F2 (0.55)	F2CALCRHCRTR1HCRTR2APLNR
SCHEMBL30658564	0.80	F2 (0.58)	CTSLCTSSCTSKCTSHF2
SCHEMBL30277111	0.80	CTSL (0.56)	CTSLCTSSCTSKCTSHF2
SCHEMBL30381927	0.80	F2 (0.53)	F2CALCRHCRTR1HCRTR2APLNR
SCHEMBL30769519	0.79	CTSL (0.41)	CTSLCTSSCTSKCTSHF2
SCHEMBL29898879	0.79	C5AR1 (0.53)	F2CALCRRAMP3
SCHEMBL30383131	0.79	F2 (0.53)	F2CALCRHCRTR1HCRTR2OPRM1
SCHEMBL31126252	0.79	F2 (0.45)	CTSLCTSSCTSKCTSHF2

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
WO-1999056567-A1	ANTI-MICROBIAL AGENTS	ABBOTT DEANE NZ LIMITED (NZ)	1999-11-11	—	—	WO	disclosed