SCHEMBL30432277

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

nearest known ligand 0.66

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.61

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	RAMP3	O60896	2/20	0.58

▸	RAMP1	O60894	1/20	0.58

▸	RAMP2	O60895	1/20	0.58

▸	CALCRL	Q16602	1/20	0.58

▸	MC4R	P32245	1/20	0.57

▸	GLP1R	P43220	3/20	0.57

▸	GCGR	P47871	3/20	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
SCHEMBL30511759	0.89	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29588650	0.89	MC4R (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29836372	0.89	C5AR1 (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29706208	0.89	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30932066	0.88	CALCR (0.77)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29860218	0.88	MC4R (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29849478	0.88	MC4R (0.60)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30436896	0.88	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30358200	0.88	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182761	0.88	CALCR (0.67)	CALCRCRHR1CRHR2NPY2RNPY4R

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