SCHEMBL30433133

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	CXCR4	P61073	2/20	0.61

▸	KEAP1	Q14145	2/20	0.60

▸	EED	O75530	1/20	0.59

▸	PTH1R	Q03431	5/20	0.57

▸	GLP1R	P43220	4/20	0.57

▸	KISS1R	Q969F8	3/20	0.57

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

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
SCHEMBL31182600	0.92	NPY2R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658313	0.91	NPY2R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30804660	0.91	CXCR4 (0.64)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182720	0.90	NPY2R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30512719	0.89	CXCR4 (0.62)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182815	0.89	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30176426	0.89	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182525	0.89	NPY2R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30536327	0.89	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30176440	0.88	NPY1R (0.64)	NPY1RNPY2RNPY4RNPY5RCXCR4

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