SCHEMBL30974324

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	1/20	0.58

▸	OPRL1	P41146	8/20	0.53

▸	KEAP1	Q14145	2/20	0.52

▸	MAPK8	P45983	1/20	0.48

▸	MAPK9	P45984	1/20	0.48

▸	MAPK10	P53779	1/20	0.48

▸	PTH1R	Q03431	2/20	0.48

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
SCHEMBL30974383	0.90	TFPI (0.55)	CALCRL
SCHEMBL30138114	0.88	CALCRL (0.46)	CALCRLMAPK8MAPK9MAPK10
SCHEMBL30974060	0.87	OPRL1 (0.61)	OPRL1
SCHEMBL29461464	0.86	KEAP1 (0.62)	CALCRLKEAP1MAPK8MAPK9MAPK10
SCHEMBL30432166	0.86	KEAP1 (0.65)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30974061	0.86	OPRL1 (0.59)	OPRL1
SCHEMBL30974537	0.85	OPRL1 (0.58)	OPRL1
SCHEMBL30262063	0.85	VIPR2 (0.54)	CALCRL
SCHEMBL31688326	0.85	KDM1A (0.58)	MAPK8MAPK9MAPK10
SCHEMBL38659777	0.84	KDM1A (0.44)	CALCRLKEAP1MAPK8MAPK9MAPK10

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