SCHEMBL30974244

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	7/20	0.46

▸	RAMP1	O60894	1/20	0.43

▸	REN	P00797	4/20	0.40

▸	EPHA2	P29317	1/20	0.40

▸	ITGB3	P05106	1/20	0.39

▸	ITGAV	P06756	1/20	0.39

▸	PRMT5	O14744	1/20	0.39

▸	WDR77	Q9BQA1	1/20	0.39

▸	F2	P00734	2/20	0.38

▸	CTSL	P07711	2/20	0.38

▸	CTSS	P25774	2/20	0.38

▸	CTSK	P43235	2/20	0.38

▸	CTSH	P09668	1/20	0.38

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
SCHEMBL30974360	0.91	CALCRL (0.46)	CALCRLRENPRMT5WDR77
SCHEMBL30974615	0.87	CALCRL (0.46)	CALCRLRAMP1RENEPHA2PRMT5
SCHEMBL30973952	0.82	CALCRL (0.53)	CALCRLRAMP1RENEPHA2PRMT5
SCHEMBL29614861	0.82	CALCRL (0.46)	CALCRLRAMP1REN
SCHEMBL30974059	0.82	F2 (0.52)	CALCRLRAMP1ITGB3ITGAVF2
SCHEMBL31483268	0.79	REN (0.48)	REN
SCHEMBL29876129	0.78	CALCRL (0.54)	CALCRLRENEPHA2
SCHEMBL29591797	0.78	REN (0.43)	REN
SCHEMBL31067760	0.77	REN (0.45)	RENF2
SCHEMBL38666572	0.77	REN (0.46)	REN

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