SCHEMBL30432839

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.64

▸	CALCR	P30988	3/20	0.61

▸	MC4R	P32245	1/20	0.59

▸	MC5R	P33032	1/20	0.59

▸	MC3R	P41968	1/20	0.59

▸	MC1R	Q01726	1/20	0.59

▸	GLP1R	P43220	8/20	0.58

▸	CCKBR	P32239	4/20	0.58

▸	GCGR	P47871	3/20	0.58

▸	NMBR	P28336	1/20	0.58

▸	GRPR	P30550	1/20	0.58

▸	CXCR4	P61073	2/20	0.57

▸	CXCL8	P10145	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
SCHEMBL29533861	0.88	C5AR1 (0.74)	C5AR1MC4RMC5RMC3RMC1R
Tosactide SCHEMBL30100330	0.86	C5AR1 (0.75)	C5AR1CALCRMC4RMC5RMC3R
SCHEMBL29534172	0.86	MC4R (0.78)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30017682	0.85	C5AR1 (0.77)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29973172	0.85	C5AR1 (0.77)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29430238	0.85	MC4R (0.78)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL25664225	0.85	CTSL (0.67)	C5AR1CALCRMC4RMC5RMC3R
SCHEMBL31457381	0.85	GLP1R (0.72)	C5AR1CALCRGLP1RCCKBRGCGR
SCHEMBL18388638	0.85	C5AR1 (0.74)	C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30480790	0.85	C5AR1 (0.72)	C5AR1CALCRMC4RMC5RMC3R

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