SCHEMBL30432504

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

nearest known ligand 0.64

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	2/20	0.64

▸	RAMP3	O60896	1/20	0.64

▸	NPY2R	P49146	7/20	0.64

▸	NPY4R	P50391	7/20	0.64

▸	NPY5R	Q15761	7/20	0.64

▸	NPY1R	P25929	5/20	0.64

▸	GLP1R	P43220	3/20	0.63

▸	GCGR	P47871	3/20	0.63

▸	F2	P00734	4/20	0.62

▸	HCRTR1	O43613	1/20	0.61

▸	HCRTR2	O43614	1/20	0.61

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

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
SCHEMBL30883236	0.92	F2 (0.69)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30883230	0.91	RAMP3 (0.64)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30607329	0.90	F2 (0.68)	CALCRRAMP3NPY1RGLP1RGCGR
SCHEMBL31182516	0.89	NPY2R (0.64)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31182958	0.89	GLP1R (0.66)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29416003	0.89	CALCR (0.63)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29526997	0.88	NPY2R (0.72)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30432128	0.88	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607449	0.88	CALCR (0.64)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30436896	0.88	CALCR (0.68)	CALCRRAMP3NPY2RNPY4RNPY5R

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