SCHEMBL30431267

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

nearest known ligand 0.68

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	11/20	0.65

▸	C5AR1	P21730	2/20	0.64

▸	GCGR	P47871	8/20	0.64

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	CALCR	P30988	3/20	0.62

▸	GIPR	P48546	5/20	0.60

▸	CTSL	P07711	1/20	0.59

▸	CTSH	P09668	1/20	0.59

▸	CTSS	P25774	1/20	0.59

▸	CTSK	P43235	1/20	0.59

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
SCHEMBL30436302	0.91	GLP1R (0.67)	GLP1RC5AR1GCGRNPY1RNPY2R
SCHEMBL30437189	0.89	CALCR (0.74)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31146547	0.89	GLP1R (0.74)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31182586	0.89	GLP1R (0.70)	GLP1RC5AR1GCGRNPY1RNPY2R
SCHEMBL31182680	0.88	GLP1R (0.74)	GLP1RC5AR1GCGRNPY1RNPY2R
SCHEMBL30607337	0.88	NPY1R (0.66)	GLP1RC5AR1GCGRNPY1RNPY2R
SCHEMBL31174220	0.88	CXCR4 (0.68)	GLP1RC5AR1GCGRGIPRCTSL
SCHEMBL30658246	0.88	GLP1R (0.79)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658282	0.88	KEAP1 (0.73)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30966637	0.88	GLP1R (0.76)	GLP1RGCGRNPY1RNPY2RNPY4R

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