SCHEMBL30433583

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

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.64

▸	CXCR4	P61073	2/20	0.62

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	F2	P00734	3/20	0.57

▸	HCRTR1	O43613	1/20	0.57

▸	HCRTR2	O43614	1/20	0.57

▸	APLNR	P35414	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
SCHEMBL31182976	0.92	CALCR (0.70)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL30883208	0.91	CALCR (0.68)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL29498111	0.91	CALCR (0.64)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL31183027	0.90	CALCR (0.63)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL31182742	0.90	CALCR (0.61)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL30686829	0.90	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686830	0.90	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686815	0.90	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686818	0.90	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686832	0.90	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R

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