SCHEMBL31031615

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	15/20	0.56

▸	CALCR	P30988	15/20	0.56

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	NMUR2	Q9GZQ4	1/20	0.51

▸	NMUR1	Q9HB89	1/20	0.51

▸	KDM1A	O60341	1/20	0.49

▸	CXCR4	P61073	1/20	0.49

▸	APLNR	P35414	1/20	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
SCHEMBL31034421	0.92	RAMP3 (0.62)	RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL31031471	0.92	RAMP3 (0.58)	RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL30798844	0.87	MAPK8 (0.61)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL31031583	0.86	RAMP3 (0.58)	RAMP3CALCRNMUR2NMUR1CXCR4
SCHEMBL30311519	0.84	MAPK8 (0.60)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL30432980	0.84	KDM1A (0.58)	RAMP3CALCRKDM1A
SCHEMBL30666383	0.84	KDM1A (0.55)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL29456270	0.84	KDM1A (0.59)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL29753847	0.83	MAPK8 (0.49)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL29837332	0.83	MAPK8 (0.49)	RAMP3CALCRMAPK8MAPK9MAPK10

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-2024132725-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed