SCHEMBL30432401

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.61

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	OPRD1	P41143	2/20	0.55

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	EP300	Q09472	1/20	0.54

▸	HIF1A	Q16665	1/20	0.54

▸	CALCRL	Q16602	1/20	0.54

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
SCHEMBL30607467	0.89	CALCR (0.64)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29679610	0.88	CALCRL (0.58)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30358154	0.88	CALCR (0.64)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29564511	0.88	CALCR (0.57)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182878	0.88	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30698075	0.88	AGTR2 (0.61)	OPRD1MAPK8MAPK9MAPK10CALCRL
SCHEMBL31575688	0.88	CALCR (0.62)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30607487	0.87	NPY2R (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30429446	0.87	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31307227	0.87	OPRD1 (0.54)	CALCRCRHR1CRHR2OPRD1CALCRL

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