SCHEMBL30432441

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

nearest known ligand 0.61

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.60

▸	RAMP3	O60896	1/20	0.60

▸	F2	P00734	4/20	0.60

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	GLP1R	P43220	3/20	0.57

▸	GCGR	P47871	3/20	0.57

▸	KDM1A	O60341	1/20	0.56

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

▸	NPY2R	P49146	4/20	0.56

▸	NPY4R	P50391	4/20	0.56

▸	NPY5R	Q15761	4/20	0.56

▸	NPY1R	P25929	3/20	0.56

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
SCHEMBL30974429	0.89	MC4R (0.61)	CALCRRAMP3F2KDM1A
SCHEMBL29588650	0.89	MC4R (0.64)	CALCRRAMP3F2NPY2RNPY4R
SCHEMBL31182722	0.88	GLP1R (0.62)	CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL31182516	0.88	NPY2R (0.64)	CALCRRAMP3EP300HIF1AKDM1A
SCHEMBL30432504	0.87	CALCR (0.64)	CALCRRAMP3F2GLP1RGCGR
SCHEMBL30436793	0.87	NPY2R (0.63)	CALCRRAMP3KDM1AMAOBKDM5A
SCHEMBL29860218	0.87	MC4R (0.64)	CALCRRAMP3F2NPY2RNPY4R
SCHEMBL30607329	0.87	F2 (0.68)	CALCRRAMP3F2GLP1RGCGR
SCHEMBL30883236	0.87	F2 (0.69)	CALCRRAMP3F2EP300HIF1A
SCHEMBL31174210	0.87	MC4R (0.60)	CALCRRAMP3F2

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