SCHEMBL30974328

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 9)

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

▸	VIPR1	P32241	3/20	0.52

▸	ECE1	P42892	1/20	0.51

▸	GLP1R	P43220	1/20	0.51

▸	MUS81	Q96NY9	1/20	0.51

▸	PTH1R	Q03431	3/20	0.51

▸	VIPR2	P41587	3/20	0.51

▸	KEAP1	Q14145	1/20	0.50

▸	KRAS	P01116	1/20	0.50

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
SCHEMBL30974569	0.97	TFPI (0.55)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL31658709	0.95	TFPI (0.58)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30974327	0.94	TFPI (0.53)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30974472	0.93	TFPI (0.58)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30974168	0.92	TFPI (0.58)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30974318	0.91	TFPI (0.58)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30974237	0.91	TFPI (0.58)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30974343	0.91	TFPI (0.58)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30974416	0.90	TFPI (0.56)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL28103409	0.90	VIPR1 (0.58)	TFPIVIPR1ECE1GLP1RMUS81

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