SCHEMBL30432935

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

nearest known ligand 0.62

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.61

▸	NMUR1	Q9HB89	4/20	0.61

▸	CXCR4	P61073	3/20	0.59

▸	NPY2R	P49146	5/20	0.58

▸	NPY4R	P50391	5/20	0.58

▸	NPY5R	Q15761	5/20	0.58

▸	NPY1R	P25929	4/20	0.58

▸	TFPI	P10646	4/20	0.58

▸	OPRM1	P35372	2/20	0.58

▸	OPRK1	P41145	2/20	0.58

▸	MC4R	P32245	1/20	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
SCHEMBL32685254	0.89	NMUR2 (0.60)	NMUR2NMUR1OPRM1OPRK1
SCHEMBL30605461	0.88	NMUR2 (0.61)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31455187	0.88	NMUR2 (0.65)	NMUR2NMUR1CXCR4NPY2RNPY4R
Catestatin SCHEMBL29498741	0.88	NMUR2 (0.58)	NMUR2NMUR1CXCR4NPY2RNPY4R
SCHEMBL31121841	0.88	NMUR2 (0.68)	NMUR2NMUR1CXCR4NPY2RNPY4R
SCHEMBL29697076	0.87	NMUR2 (0.62)	NMUR2NMUR1TFPIOPRM1OPRK1
SCHEMBL30527874	0.87	NMUR2 (0.65)	NMUR2NMUR1CXCR4TFPIOPRM1
SCHEMBL29416002	0.87	NMUR2 (0.65)	NMUR2NMUR1CXCR4TFPIOPRM1
SCHEMBL29625799	0.87	TFPI (0.61)	NMUR2NMUR1CXCR4NPY2RNPY4R
SCHEMBL30262222	0.87	NMUR2 (0.64)	NMUR2NMUR1CXCR4OPRM1

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