SCHEMBL30433528

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

nearest known ligand 0.63

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.63

▸	APLNR	P35414	2/20	0.61

▸	CXCR4	P61073	2/20	0.60

▸	CALCR	P30988	4/20	0.60

▸	NPY2R	P49146	6/20	0.59

▸	NPY4R	P50391	6/20	0.59

▸	NPY5R	Q15761	6/20	0.59

▸	NPY1R	P25929	4/20	0.59

▸	C5AR1	P21730	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
SCHEMBL30176412	0.92	MC4R (0.63)	MC4RAPLNRCXCR4CALCRNPY2R
SCHEMBL31167611	0.91	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29416027	0.90	MAPK8 (0.63)	APLNRCXCR4CALCRNPY2RNPY4R
SCHEMBL31356966	0.89	C5AR1 (0.61)	MC4RAPLNRC5AR1
SCHEMBL31167610	0.89	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30752380	0.89	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30752384	0.89	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30233814	0.88	C5AR1 (0.63)	MC4RCXCR4CALCRNPY2RNPY4R
SCHEMBL29854496	0.88	NPY2R (0.68)	MC4RCALCRNPY2RNPY4RNPY5R
SCHEMBL31182976	0.88	CALCR (0.70)	APLNRCXCR4CALCRNPY2RNPY4R

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