SCHEMBL30432519

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.64

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	GLP1R	P43220	4/20	0.53

▸	GCGR	P47871	1/20	0.53

▸	GIPR	P48546	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
SCHEMBL29949588	0.89	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29723075	0.87	CALCR (0.58)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182968	0.87	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658402	0.86	NPY2R (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30435943	0.85	NPY2R (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30607450	0.85	CALCR (0.67)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29723134	0.85	CALCR (0.58)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658236	0.85	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30979201	0.85	NPY2R (0.57)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432351	0.84	CALCR (0.53)	CALCRCRHR1CRHR2MAPK8MAPK9

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