SCHEMBL30432890

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.53

▸	NPY4R	P50391	8/20	0.53

▸	NPY5R	Q15761	8/20	0.53

▸	NPY1R	P25929	6/20	0.53

▸	CALCR	P30988	4/20	0.51

▸	MAPK8	P45983	1/20	0.48

▸	MAPK9	P45984	1/20	0.48

▸	MAPK10	P53779	1/20	0.48

▸	KEAP1	Q14145	1/20	0.47

▸	HCRTR1	O43613	1/20	0.46

▸	HCRTR2	O43614	1/20	0.46

▸	NTSR1	P30989	3/20	0.45

▸	NTSR2	O95665	2/20	0.45

▸	SORT1	Q99523	1/20	0.45

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
SCHEMBL30712978	0.89	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31196711	0.87	NPY2R (0.53)	NPY2RNPY4RNPY5RNPY1RCALCR
Acetic Acid SCHEMBL30409055	0.86	NPY2R (0.53)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL30737514	0.86	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30737670	0.86	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30737842	0.86	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432814	0.86	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495623	0.86	NPY2R (0.55)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182748	0.85	KDM1A (0.49)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL31575687	0.85	NTSR1 (0.48)	NPY2RNPY4RNPY5RNPY1RCALCR

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