SCHEMBL30432514

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.66

▸	CALCR	P30988	4/20	0.59

▸	MC4R	P32245	1/20	0.58

▸	NPY2R	P49146	5/20	0.57

▸	NPY4R	P50391	5/20	0.57

▸	NPY5R	Q15761	5/20	0.57

▸	NPY1R	P25929	4/20	0.57

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	AGTR1	P30556	1/20	0.57

▸	AGTR2	P50052	1/20	0.57

▸	KDM1A	O60341	1/20	0.57

▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

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
SCHEMBL31332156	0.94	AGTR2 (0.64)	F2CALCRNPY1RAGTR1AGTR2
SCHEMBL31405172	0.92	MC4R (0.60)	F2CALCRMC4RNPY2RNPY4R
SCHEMBL31544391	0.92	AGTR1 (0.62)	F2CALCRAGTR1AGTR2
SCHEMBL29359023	0.92	AGTR2 (0.66)	F2CALCRAGTR1AGTR2
SCHEMBL30658233	0.91	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29569693	0.90	AGTR1 (0.62)	F2CALCRMC4RAGTR1AGTR2
Angiotensin Ii SCHEMBL9013950	0.90	AGTR2 (0.69)	F2AGTR1AGTR2
Angiotensin Ii SCHEMBL22125774	0.90	AGTR2 (0.69)	F2AGTR1AGTR2
Angiotensin Ii SCHEMBL9013957	0.90	AGTR2 (0.69)	F2AGTR1AGTR2
SCHEMBL29976758	0.90	AGTR2 (0.65)	F2AGTR1AGTR2

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