SCHEMBL30974383

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.55

▸	CALCRL	Q16602	1/20	0.55

▸	KDM1A	O60341	2/20	0.52

▸	GLP1R	P43220	2/20	0.50

▸	VIPR1	P32241	2/20	0.50

▸	VIPR2	P41587	2/20	0.50

▸	BACE1	P56817	1/20	0.49

▸	BACE2	Q9Y5Z0	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
SCHEMBL30974324	0.90	CALCRL (0.58)	CALCRL
SCHEMBL30262063	0.87	VIPR2 (0.54)	TFPICALCRLKDM1AGLP1RVIPR1
SCHEMBL30111330	0.86	KDM1A (0.66)	TFPIKDM1A
SCHEMBL30432351	0.85	CALCR (0.53)	CALCRLBACE1
SCHEMBL31514352	0.84	BECN1 (0.56)	TFPIKDM1A
SCHEMBL30974175	0.84	KDM1A (0.59)	TFPIKDM1ABACE1BACE2
SCHEMBL29939531	0.83	BACE1 (0.53)	TFPICALCRLKDM1ABACE1BACE2
SCHEMBL31688326	0.83	KDM1A (0.58)	TFPIKDM1AGLP1RVIPR1VIPR2
SCHEMBL30311507	0.83	REN (0.58)	CALCRLKDM1A
SCHEMBL29440667	0.83	TFPI (0.58)	TFPIGLP1RVIPR1VIPR2

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