SCHEMBL26426326

CSCC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	3/20	0.65

▸	CTSS	P25774	3/20	0.65

▸	CTSK	P43235	3/20	0.65

▸	CTSH	P09668	1/20	0.65

▸	KISS1R	Q969F8	1/20	0.59

▸	CXCL8	P10145	8/20	0.58

▸	NMBR	P28336	1/20	0.57

▸	GRPR	P30550	1/20	0.57

▸	OPRM1	P35372	1/20	0.56

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
SCHEMBL25665363	0.91	CTSL (0.69)	CTSLCTSSCTSKCTSHCXCL8
SCHEMBL25664212	0.90	CTSL (0.68)	CTSLCTSSCTSKCTSHCXCL8
SCHEMBL25664225	0.89	CTSL (0.67)	CTSLCTSSCTSKCTSHNMBR
SCHEMBL30439204	0.89	C5AR1 (0.66)	CTSLCTSSCTSKCTSHCXCL8
SCHEMBL25665234	0.88	CTSL (0.69)	CTSLCTSSCTSKCTSHCXCL8
SCHEMBL29660489	0.88	C5AR1 (0.64)	CTSLCTSSCTSKCTSHKISS1R
SCHEMBL31265190	0.88	C5AR1 (0.61)	CTSLCTSSCTSKCTSHKISS1R
SCHEMBL31053728	0.87	KISS1R (0.56)	CTSLCTSSCTSKCTSHKISS1R
SCHEMBL26426063	0.87	CTSL (0.64)	CTSLCTSSCTSKCTSHCXCL8
SCHEMBL25664218	0.86	CTSL (0.64)	CTSLCTSSCTSKCTSHNMBR

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-2023069502-A2	PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES	RESOLUTE BIO, INC. (US)	2023-04-27	—	—	WO	disclosed