SCHEMBL30974558

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.54

▸	CALCR	P30988	4/20	0.53

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	GLP1R	P43220	6/20	0.52

▸	NMBR	P28336	2/20	0.52

▸	GRPR	P30550	2/20	0.52

▸	SCTR	P47872	1/20	0.52

▸	VIPR2	P41587	2/20	0.51

▸	BACE1	P56817	3/20	0.51

▸	BACE2	Q9Y5Z0	1/20	0.51

▸	VIPR1	P32241	1/20	0.50

▸	GCGR	P47871	1/20	0.49

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
SCHEMBL31307293	0.97	TFPI (0.56)	TFPICALCRCRHR1CRHR2GLP1R
SCHEMBL30974601	0.97	TFPI (0.56)	TFPICALCRCRHR1CRHR2GLP1R
SCHEMBL30874972	0.89	OPRD1 (0.53)	GLP1RSCTRBACE1BACE2
SCHEMBL31410862	0.89	TFPI (0.47)	TFPICALCRGLP1RNMBRGRPR
SCHEMBL30656876	0.89	GLP1R (0.61)	CALCRGLP1RSCTRVIPR2GCGR
SCHEMBL30656877	0.89	GLP1R (0.61)	CALCRGLP1RSCTRVIPR2GCGR
SCHEMBL31419706	0.88	TFPI (0.63)	TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL29499670	0.87	CALCR (0.56)	TFPICALCRCRHR1CRHR2GLP1R
SCHEMBL30168721	0.87	F2 (0.57)	CALCRCRHR1CRHR2GLP1RBACE1
SCHEMBL29637838	0.87	GLP1R (0.58)	TFPICALCRCRHR1CRHR2GLP1R

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