SCHEMBL30431687

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

nearest known ligand 0.64

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.64

▸	CALCR	P30988	4/20	0.61

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	HCRTR1	O43613	1/20	0.56

▸	HCRTR2	O43614	1/20	0.56

▸	TFPI	P10646	3/20	0.56

▸	OPRM1	P35372	2/20	0.56

▸	OPRD1	P41143	2/20	0.56

▸	OPRK1	P41145	2/20	0.56

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	1/20	0.55

▸	CXCL8	P10145	1/20	0.55

▸	NMUR2	Q9GZQ4	1/20	0.55

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
SCHEMBL29679847	0.92	F2 (0.63)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31672213	0.91	CALCR (0.70)	F2CALCRCRHR1CRHR2TFPI
SCHEMBL30903285	0.90	CALCR (0.60)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30712932	0.90	F2 (0.65)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30176473	0.90	CALCR (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30974276	0.89	F2 (0.61)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30176423	0.89	CALCR (0.68)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30804656	0.89	F2 (0.67)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL29896010	0.88	CRHR1 (0.53)	F2CALCRCRHR1CRHR2TFPI
SCHEMBL30495631	0.88	F2 (0.66)	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