SCHEMBL30974483

CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](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)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.64

▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	CALCR	P30988	4/20	0.62

▸	OPRM1	P35372	2/20	0.61

▸	OPRD1	P41143	2/20	0.61

▸	OPRK1	P41145	2/20	0.61

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
SCHEMBL31005079	0.96	TFPI (0.67)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30974100	0.96	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31005066	0.95	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30432109	0.92	CALCR (0.69)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30176420	0.92	NPY2R (0.68)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30017187	0.91	NPY2R (0.64)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31182993	0.91	OPRM1 (0.65)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30073900	0.91	CALCR (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30261995	0.91	OPRD1 (0.61)	TFPIOPRM1OPRD1OPRK1
SCHEMBL30495646	0.90	CALCR (0.65)	TFPINPY2RNPY4RNPY5RNPY1R

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