SCHEMBL30431381

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	F2	P00734	4/20	0.52

▸	CALCR	P30988	4/20	0.51

▸	HCRTR1	O43613	1/20	0.48

▸	HCRTR2	O43614	1/20	0.48

▸	CCKBR	P32239	2/20	0.47

▸	GLP1R	P43220	2/20	0.47

▸	CALCRL	Q16602	1/20	0.46

▸	NPY2R	P49146	5/20	0.46

▸	NPY4R	P50391	5/20	0.46

▸	NPY5R	Q15761	5/20	0.46

▸	NPY1R	P25929	3/20	0.46

▸	EP300	Q09472	1/20	0.46

▸	HIF1A	Q16665	1/20	0.46

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
SCHEMBL31527736	0.85	F2 (0.56)	CRHR1CRHR2F2CALCRCALCRL
SCHEMBL31000939	0.85	CALCR (0.57)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL30123069	0.85	CALCRL (0.52)	CRHR1CRHR2F2CALCRHCRTR1
SCHEMBL29530459	0.84	CRHR1 (0.48)	CRHR1CRHR2F2CALCRHCRTR1
SCHEMBL5346245	0.84	F2 (0.51)	CRHR1CRHR2F2CALCRHCRTR1
SCHEMBL5346255	0.84	F2 (0.51)	CRHR1CRHR2F2CALCRHCRTR1
SCHEMBL30997464	0.84	F2 (0.60)	CRHR1CRHR2F2CALCRNPY2R
SCHEMBL30658556	0.84	F2 (0.50)	F2CALCRCALCRL
SCHEMBL31000929	0.84	CALCR (0.54)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29721233	0.83	APLNR (0.57)	CRHR1CRHR2F2CALCRGLP1R

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