SCHEMBL30432159

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.73

▸	NPY1R	P25929	1/20	0.69

▸	NPY2R	P49146	1/20	0.69

▸	NPY4R	P50391	1/20	0.69

▸	NPY5R	Q15761	1/20	0.69

▸	GLP1R	P43220	9/20	0.69

▸	GCGR	P47871	4/20	0.69

▸	CXCR4	P61073	6/20	0.68

▸	CCKBR	P32239	2/20	0.65

▸	KEAP1	Q14145	1/20	0.64

▸	GIPR	P48546	1/20	0.63

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
SCHEMBL29429583	0.94	NPY1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29429581	0.94	NPY1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29638067	0.94	GLP1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29638062	0.94	GLP1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182679	0.93	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30429341	0.92	GLP1R (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495703	0.92	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30116704	0.91	C5AR1 (0.71)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31000945	0.91	C5AR1 (0.73)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30429333	0.91	NPY1R (0.70)	C5AR1NPY1RNPY2RNPY4RNPY5R

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