SCHEMBL30584470

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.56

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	NPY2R	P49146	6/20	0.52

▸	NPY4R	P50391	6/20	0.52

▸	NPY5R	Q15761	6/20	0.52

▸	NPY1R	P25929	4/20	0.52

▸	NMUR2	Q9GZQ4	2/20	0.52

▸	NMUR1	Q9HB89	2/20	0.52

▸	CALCR	P30988	3/20	0.51

▸	APLNR	P35414	1/20	0.51

▸	C5AR1	P21730	1/20	0.51

▸	MC4R	P32245	1/20	0.51

▸	MC5R	P33032	1/20	0.51

▸	MC3R	P41968	1/20	0.51

▸	MC1R	Q01726	1/20	0.51

▸	RAMP3	O60896	1/20	0.51

▸	TFPI	P10646	1/20	0.51

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
SCHEMBL31682382	0.91	CALCR (0.60)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL30584476	0.88	CALCRL (0.54)	OPRM1OPRD1CALCR
SCHEMBL30455325	0.88	EPHA2 (0.57)	EPHA2OPRM1OPRD1NPY2RNPY4R
SCHEMBL30415136	0.87	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29939518	0.87	CALCR (0.58)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29865083	0.85	OPRM1 (0.62)	EPHA2OPRM1OPRD1NPY2RNPY4R
SCHEMBL29864847	0.85	OPRM1 (0.62)	EPHA2OPRM1OPRD1NPY2RNPY4R
SCHEMBL29865041	0.85	OPRM1 (0.62)	EPHA2OPRM1OPRD1NPY2RNPY4R
SCHEMBL30906381	0.85	NPY2R (0.63)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30876339	0.85	OPRD1 (0.58)	EPHA2OPRM1OPRD1NMUR2NMUR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2023212662-A2	COMPOSITIONS AND METHODS FOR MODULATING ANTIGEN BINDING ACTIVITY	OREGON HEALTH & SCIENCE UNIVERSITY (US)	2023-11-02	—	—	WO	claimed
WO-2023212662-A2	COMPOSITIONS AND METHODS FOR MODULATING ANTIGEN BINDING ACTIVITY	OREGON HEALTH & SCIENCE UNIVERSITY (US)	2023-11-02	—	—	WO	disclosed