SCHEMBL30432175

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	NTSR1	P30989	1/20	0.54

▸	F2	P00734	2/20	0.53

▸	KDM1A	O60341	1/20	0.53

▸	BACE1	P56817	1/20	0.53

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
SCHEMBL30658245	0.91	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607371	0.89	CALCR (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30443276	0.89	NTSR1 (0.53)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495612	0.88	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30576927	0.88	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30804661	0.88	NPY2R (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30444199	0.88	NTSR1 (0.51)	CALCRCRHR1CRHR2NTSR1F2
SCHEMBL30607345	0.88	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974382	0.88	NTSR1 (0.57)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607306	0.87	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R

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