SCHEMBL31031589

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

nearest known ligand 0.61

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.61

▸	CALCR	P30988	5/20	0.52

▸	CRHR1	P34998	1/20	0.50

▸	CRHR2	Q13324	1/20	0.50

▸	MC4R	P32245	1/20	0.50

▸	KEAP1	Q14145	1/20	0.50

▸	HCRTR1	O43613	1/20	0.49

▸	HCRTR2	O43614	1/20	0.49

▸	APLNR	P35414	1/20	0.48

▸	NMUR2	Q9GZQ4	2/20	0.48

▸	NMUR1	Q9HB89	2/20	0.48

▸	CXCR4	P61073	2/20	0.48

▸	RAMP3	O60896	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
SCHEMBL31031602	0.93	F2 (0.59)	F2CALCRMC4RAPLNRNMUR2
SCHEMBL30216268	0.88	F2 (0.67)	F2CALCRCRHR1CRHR2MC4R
SCHEMBL30978823	0.86	F2 (0.58)	F2CALCRCRHR1CRHR2MC4R
SCHEMBL31453820	0.86	F2 (0.55)	F2CALCRMC4RHCRTR1HCRTR2
SCHEMBL29778026	0.86	F2 (0.54)	F2CALCRAPLNRRAMP3
SCHEMBL29521043	0.86	F2 (0.54)	F2CALCRAPLNRRAMP3
SCHEMBL30272452	0.85	F2 (0.56)	F2CALCRCRHR1CRHR2MC4R
SCHEMBL30272533	0.84	F2 (0.56)	F2CALCRCRHR1CRHR2MC4R
SCHEMBL31276246	0.84	F2 (0.54)	F2CALCRMC4RAPLNRRAMP3
SCHEMBL30165153	0.83	MC4R (0.47)	F2CALCRMC4RAPLNRNMUR2

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