SCHEMBL30974396

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.60

▸	GLP1R	P43220	11/20	0.59

▸	SCTR	P47872	1/20	0.59

▸	VIPR2	P41587	4/20	0.57

▸	GCGR	P47871	1/20	0.56

▸	VIPR1	P32241	3/20	0.56

▸	PTH1R	Q03431	1/20	0.54

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
SCHEMBL30974518	0.97	TFPI (0.62)	TFPIGLP1RSCTRVIPR2GCGR
SCHEMBL31005069	0.96	TFPI (0.64)	TFPIGLP1RSCTRGCGRVIPR1
SCHEMBL29592929	0.95	TFPI (0.63)	TFPIGLP1RSCTRVIPR2GCGR
SCHEMBL29972780	0.95	TFPI (0.63)	TFPIGLP1RSCTRVIPR2GCGR
SCHEMBL30974111	0.94	TFPI (0.64)	TFPIGLP1RSCTRGCGRVIPR1
SCHEMBL30209778	0.93	BACE1 (0.56)	TFPIGLP1RSCTR
SCHEMBL29903355	0.93	GLP1R (0.65)	TFPIGLP1RSCTRVIPR2GCGR
SCHEMBL8973636	0.92	TFPI (0.62)	TFPIGLP1RSCTRVIPR2GCGR
SCHEMBL29871066	0.92	VIPR2 (0.56)	TFPIGLP1RSCTRVIPR2VIPR1
SCHEMBL31182709	0.91	GLP1R (0.65)	TFPIGLP1RSCTRGCGRVIPR1

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