SCHEMBL30432559

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

nearest known ligand 0.58

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	7/20	0.58

▸	F2	P00734	4/20	0.53

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	CXCR4	P61073	1/20	0.52

▸	RAMP3	O60896	3/20	0.51

▸	CCKBR	P32239	2/20	0.51

▸	GLP1R	P43220	2/20	0.51

▸	C5AR1	P21730	1/20	0.50

▸	NPY2R	P49146	1/20	0.50

▸	NPY4R	P50391	1/20	0.50

▸	NPY5R	Q15761	1/20	0.50

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
SCHEMBL31683309	0.90	CALCR (0.65)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31664360	0.88	CALCR (0.66)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31664366	0.88	CALCR (0.66)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29662181	0.87	CALCR (0.58)	CALCRF2HCRTR1HCRTR2CXCR4
SCHEMBL30483842	0.87	CALCR (0.55)	CALCRF2HCRTR1HCRTR2RAMP3
SCHEMBL29662249	0.86	CALCR (0.58)	CALCRF2HCRTR1HCRTR2RAMP3
SCHEMBL30422242	0.85	CALCR (0.56)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29662119	0.85	CALCR (0.58)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29679881	0.85	CALCR (0.56)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29679714	0.85	CALCR (0.56)	CALCRF2CRHR1CRHR2HCRTR1

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