SCHEMBL30433577

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.53

▸	NPY4R	P50391	7/20	0.53

▸	NPY5R	Q15761	7/20	0.53

▸	NPY1R	P25929	5/20	0.53

▸	OPRM1	P35372	2/20	0.51

▸	OPRD1	P41143	2/20	0.51

▸	OPRK1	P41145	2/20	0.51

▸	CALCR	P30988	9/20	0.51

▸	RAMP3	O60896	5/20	0.50

▸	CXCR4	P61073	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
SCHEMBL30432133	0.91	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL31031609	0.88	NPY2R (0.54)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30906472	0.87	EP300 (0.54)	NPY2RNPY4RNPY5RNPY1ROPRD1
SCHEMBL31182497	0.86	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30906563	0.86	CALCR (0.52)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30930139	0.86	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30571129	0.86	CAPN1 (0.52)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30432302	0.86	NPY2R (0.53)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182588	0.85	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30242243	0.85	CXCR4 (0.53)	NPY2RNPY4RNPY5RNPY1ROPRM1

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
US-20240342111-A1	ISOMER-SPECIFIC NEUROPROTECTIVE EFFECT OF NATURAL RESERVATROL	UNIV SOUTH CAROLINA (US)	2024-10-17	—	—	US	disclosed
US-20230201133-A1	Isomer-Specific Neuroprotective Effect of Natural Resveratrol	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-29	—	—	US	disclosed