SCHEMBL30432875

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	F2	P00734	4/20	0.65

▸	C5AR1	P21730	1/20	0.63

▸	GLP1R	P43220	2/20	0.62

▸	KEAP1	Q14145	1/20	0.61

▸	GCGR	P47871	1/20	0.60

▸	GIPR	P48546	1/20	0.60

▸	NPY2R	P49146	4/20	0.60

▸	NPY4R	P50391	4/20	0.60

▸	NPY5R	Q15761	4/20	0.60

▸	NPY1R	P25929	3/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	APLNR	P35414	1/20	0.60

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
SCHEMBL29767747	0.93	CALCR (0.64)	CALCRF2C5AR1GLP1RNPY2R
SCHEMBL31182767	0.93	CALCR (0.67)	CALCRF2GLP1RKEAP1GCGR
SCHEMBL29949373	0.93	CALCR (0.70)	CALCRGLP1RKEAP1GCGRGIPR
SCHEMBL30008485	0.92	CALCR (0.62)	CALCRF2C5AR1GLP1RNPY2R
SCHEMBL30176470	0.91	CALCR (0.73)	CALCRF2GLP1RGCGRNPY2R
SCHEMBL29767745	0.91	CALCR (0.63)	CALCRF2C5AR1GLP1RNPY2R
SCHEMBL30495819	0.91	NPY2R (0.59)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31182738	0.91	CALCR (0.67)	CALCRF2C5AR1NPY2RNPY4R
SCHEMBL30932075	0.91	CALCR (0.72)	CALCRF2GLP1RNPY2RNPY4R
SCHEMBL29662252	0.91	C5AR1 (0.66)	CALCRF2C5AR1KEAP1APLNR

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