SCHEMBL30974573

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.57

▸	F2	P00734	4/20	0.57

▸	KEAP1	Q14145	1/20	0.57

▸	CTSL	P07711	3/20	0.56

▸	CTSS	P25774	3/20	0.56

▸	CTSK	P43235	3/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	CALCR	P30988	4/20	0.55

▸	MC4R	P32245	1/20	0.54

▸	CXCR4	P61073	1/20	0.54

▸	APLNR	P35414	1/20	0.53

▸	GLP1R	P43220	1/20	0.53

▸	GCGR	P47871	1/20	0.53

▸	GIPR	P48546	1/20	0.53

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
SCHEMBL30974189	0.98	F2 (0.56)	C5AR1F2KEAP1CTSLCTSS
SCHEMBL30974481	0.97	C5AR1 (0.61)	C5AR1F2KEAP1CTSLCTSS
SCHEMBL30974365	0.97	F2 (0.56)	C5AR1F2KEAP1CTSLCTSS
SCHEMBL30974459	0.97	C5AR1 (0.60)	C5AR1F2KEAP1CTSLCTSS
SCHEMBL30974458	0.95	C5AR1 (0.59)	C5AR1F2KEAP1CTSLCTSS
SCHEMBL30974387	0.95	C5AR1 (0.59)	C5AR1F2KEAP1CTSLCTSS
SCHEMBL30974554	0.94	C5AR1 (0.58)	C5AR1F2KEAP1CTSLCTSS
SCHEMBL30974286	0.94	F2 (0.57)	C5AR1F2CTSLCTSSCTSK
SCHEMBL30974242	0.91	CALCR (0.62)	F2CALCR
SCHEMBL30974376	0.89	F2 (0.58)	C5AR1F2CTSLCTSSCTSK

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-2024132726-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed