SCHEMBL31410873

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	NPY4R	P50391	9/20	0.59

▸	NPY5R	Q15761	6/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	NPY2R	P49146	3/20	0.54

▸	GLP1R	P43220	1/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	OPRK1	P41145	1/20	0.53

▸	VIPR1	P32241	1/20	0.52

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
SCHEMBL29721606	0.94	TFPI (0.57)	TFPINPY4RNPY5RNPY1RGLP1R
SCHEMBL31410834	0.90	NPY4R (0.55)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30669464	0.88	NPY4R (0.62)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30669462	0.88	NPY4R (0.62)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL29965596	0.87	NPY5R (0.55)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL29939606	0.87	NPY4R (0.59)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30880895	0.87	OPRM1 (0.60)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL31688341	0.87	TFPI (0.64)	TFPIGLP1ROPRM1OPRD1OPRK1
SCHEMBL29965425	0.86	TFPI (0.56)	TFPINPY4RNPY5RNPY1RGLP1R
SCHEMBL29965064	0.86	TFPI (0.55)	TFPINPY4RNPY5RNPY1RNPY2R

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-2025002589-A1	TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS	Uniwersytet Gdański (PL)	2025-01-02	—	—	WO	disclosed