SCHEMBL30609002

C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	3/20	0.64

▸	CTSS	P25774	3/20	0.64

▸	CTSK	P43235	3/20	0.64

▸	CTSH	P09668	1/20	0.64

▸	C5AR1	P21730	2/20	0.56

▸	CXCR4	P61073	9/20	0.55

▸	CAPN1	P07384	2/20	0.54

▸	CTSB	P07858	2/20	0.54

▸	KISS1R	Q969F8	2/20	0.50

▸	NMBR	P28336	1/20	0.49

▸	GRPR	P30550	1/20	0.49

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
SCHEMBL30609006	1.00	CTSL (0.64)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30577311	0.98	CTSL (0.61)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609007	0.95	CTSL (0.64)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609012	0.95	C5AR1 (0.61)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609008	0.95	C5AR1 (0.61)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609005	0.94	CTSL (0.61)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609010	0.94	CTSL (0.60)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609016	0.94	CTSL (0.60)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609011	0.92	CTSL (0.62)	CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30577312	0.91	C5AR1 (0.63)	CTSLCTSSCTSKCTSHC5AR1

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
WO-2023169550-A1	POLYPEPTIDE COMPOUND FOR PREVENTING AND/OR TREATING RENAL FIBROSIS	中山大学	2023-09-14	—	—	WO	claimed
WO-2023169550-A1	POLYPEPTIDE COMPOUND FOR PREVENTING AND/OR TREATING RENAL FIBROSIS	中山大学	2023-09-14	—	—	WO	disclosed