SCHEMBL30974474

C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	6/20	0.59

▸	RAMP1	O60894	1/20	0.52

▸	SLC6A2	P23975	1/20	0.51

▸	CALCR	P30988	4/20	0.49

▸	F2	P00734	4/20	0.49

▸	REN	P00797	2/20	0.47

▸	CRHR1	P34998	1/20	0.47

▸	CRHR2	Q13324	1/20	0.47

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
SCHEMBL30974054	0.90	CALCRL (0.56)	CALCRLCALCR
SCHEMBL30974445	0.90	CALCRL (0.55)	CALCRLCALCR
SCHEMBL30974096	0.88	CALCR (0.62)	CALCRF2CRHR1CRHR2
SCHEMBL29400662	0.88	CALCRL (0.58)	CALCRLRAMP1CALCRF2CRHR1
SCHEMBL30480492	0.87	OPRM1 (0.55)	SLC6A2REN
SCHEMBL30480493	0.87	OPRM1 (0.55)	SLC6A2REN
SCHEMBL29697219	0.87	CALCRL (0.55)	CALCRLRAMP1SLC6A2CALCRF2
SCHEMBL30974077	0.86	EPHA2 (0.57)	CALCRLCALCRF2
SCHEMBL31452900	0.86	CALCRL (0.54)	CALCRLRAMP1SLC6A2CALCRF2
SCHEMBL30488934	0.85	CALCRL (0.52)	CALCRLRAMP1SLC6A2CALCRF2

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