SCHEMBL30432183

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	2/20	0.59

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	CALCR	P30988	4/20	0.59

▸	APLNR	P35414	2/20	0.59

▸	KDM1A	O60341	1/20	0.59

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
SCHEMBL30712933	0.93	C5AR1 (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29637944	0.92	C5AR1 (0.65)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30058340	0.92	F2 (0.63)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29949425	0.91	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30358141	0.91	APLNR (0.63)	F2CALCRAPLNRKDM1A
SCHEMBL29647453	0.91	C5AR1 (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30148163	0.91	C5AR1 (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29637925	0.91	C5AR1 (0.63)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30523596	0.90	C5AR1 (0.62)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31386975	0.90	CALCR (0.63)	F2NPY2RNPY4RNPY5RNPY1R

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