SCHEMBL30432393

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.72

▸	CALCR	P30988	4/20	0.68

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

▸	NMBR	P28336	1/20	0.60

▸	GRPR	P30550	1/20	0.60

▸	TFPI	P10646	2/20	0.58

▸	CCKBR	P32239	2/20	0.58

▸	GLP1R	P43220	2/20	0.58

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	MC4R	P32245	1/20	0.57

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
SCHEMBL30712965	0.93	CALCR (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30576931	0.92	F2 (0.73)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30495663	0.91	F2 (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30431750	0.91	F2 (0.70)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182554	0.91	CALCR (0.72)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL29379306	0.90	F2 (0.78)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30498570	0.90	CALCR (0.80)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182521	0.90	F2 (0.73)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182519	0.89	CALCR (0.68)	F2CALCRTFPINPY1RNPY2R
SCHEMBL29939733	0.89	CALCR (0.73)	F2CALCRCRHR1CRHR2HCRTR1

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