SCHEMBL30432809

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	6/20	0.68

▸	C5AR1	P21730	1/20	0.67

▸	KEAP1	Q14145	2/20	0.66

▸	GCGR	P47871	3/20	0.65

▸	CALCR	P30988	3/20	0.64

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	PTH1R	Q03431	5/20	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
SCHEMBL31182724	0.93	KEAP1 (0.70)	GLP1RKEAP1GCGRPTH1R
SCHEMBL30436302	0.92	GLP1R (0.67)	GLP1RC5AR1KEAP1GCGRCALCR
SCHEMBL30006939	0.91	KEAP1 (0.70)	GLP1RC5AR1KEAP1NPY1RNPY2R
SCHEMBL31027142	0.91	GLP1R (0.75)	GLP1RKEAP1GCGRCALCRNPY1R
SCHEMBL30648457	0.91	C5AR1 (0.69)	GLP1RC5AR1NPY1RNPY2RNPY4R
SCHEMBL30437189	0.90	CALCR (0.74)	GLP1RKEAP1GCGRCALCRNPY1R
SCHEMBL31182484	0.90	KEAP1 (0.72)	GLP1RKEAP1GCGRCALCRPTH1R
SCHEMBL31146547	0.90	GLP1R (0.74)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL31182680	0.90	GLP1R (0.74)	GLP1RC5AR1GCGRCALCRNPY1R
SCHEMBL29545955	0.90	KEAP1 (0.69)	GLP1RC5AR1KEAP1NPY1RNPY2R

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