SCHEMBL30432185

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

nearest known ligand 0.65

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	OPRM1	P35372	2/20	0.57

▸	OPRD1	P41143	2/20	0.57

▸	OPRK1	P41145	2/20	0.57

▸	GLP1R	P43220	4/20	0.57

▸	CCKBR	P32239	2/20	0.57

▸	C5AR1	P21730	1/20	0.56

▸	NMBR	P28336	1/20	0.56

▸	GRPR	P30550	1/20	0.56

▸	NPY2R	P49146	4/20	0.56

▸	NPY4R	P50391	4/20	0.56

▸	NPY5R	Q15761	4/20	0.56

▸	NPY1R	P25929	3/20	0.56

▸	GCGR	P47871	2/20	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
SCHEMBL29662119	0.89	CALCR (0.58)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30495793	0.89	CALCR (0.67)	CALCRCRHR1CRHR2GLP1RC5AR1
SCHEMBL31182830	0.88	CALCR (0.72)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29939733	0.88	CALCR (0.73)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182654	0.88	NPY2R (0.66)	CALCRGLP1RC5AR1NPY2RNPY4R
SCHEMBL31664360	0.87	CALCR (0.66)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31664366	0.87	CALCR (0.66)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30176473	0.87	CALCR (0.64)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30432128	0.87	CALCR (0.69)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL31232532	0.87	CALCR (0.77)	CALCRCRHR1CRHR2HCRTR1HCRTR2

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