SCHEMBL30431763

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.59

▸	NPY2R	P49146	8/20	0.58

▸	NPY4R	P50391	8/20	0.58

▸	NPY5R	Q15761	8/20	0.58

▸	NPY1R	P25929	6/20	0.58

▸	OXTR	P30559	1/20	0.57

▸	HCRTR1	O43613	1/20	0.56

▸	HCRTR2	O43614	1/20	0.56

▸	NTSR1	P30989	3/20	0.55

▸	NTSR2	O95665	2/20	0.55

▸	KDM1A	O60341	1/20	0.54

▸	SORT1	Q99523	1/20	0.53

▸	MAPK8	P45983	1/20	0.53

▸	MAPK9	P45984	1/20	0.53

▸	MAPK10	P53779	1/20	0.53

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
SCHEMBL30432228	0.90	NPY2R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432355	0.90	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567778	0.87	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30883235	0.87	NPY2R (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182783	0.87	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29461643	0.87	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495740	0.87	NPY2R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30437207	0.86	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29479848	0.86	F2 (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432493	0.86	CALCR (0.60)	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