SCHEMBL30432026

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	6/20	0.66

▸	NPY4R	P50391	6/20	0.66

▸	NPY5R	Q15761	6/20	0.66

▸	NPY1R	P25929	5/20	0.66

▸	CXCR4	P61073	4/20	0.64

▸	IL23R	Q5VWK5	1/20	0.64

▸	C5AR1	P21730	1/20	0.61

▸	MC4R	P32245	1/20	0.58

▸	MC5R	P33032	1/20	0.58

▸	MC3R	P41968	1/20	0.58

▸	MC1R	Q01726	1/20	0.58

▸	GLP1R	P43220	4/20	0.57

▸	EED	O75530	1/20	0.57

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
SCHEMBL30431371	0.91	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30415481	0.90	CXCR4 (0.62)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29982420	0.90	IL23R (0.58)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30092475	0.90	IL23R (0.58)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30607471	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182504	0.89	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31000917	0.88	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29949399	0.88	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182600	0.88	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30646309	0.88	CXCR4 (0.71)	NPY2RNPY4RNPY5RNPY1RCXCR4

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