SCHEMBL30433007

CSCC[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.65

▸	RAMP3	O60896	3/20	0.65

▸	NMUR2	Q9GZQ4	3/20	0.62

▸	NMUR1	Q9HB89	3/20	0.62

▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	NTSR1	P30989	1/20	0.58

▸	TFPI	P10646	1/20	0.58

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
SCHEMBL31182756	0.89	NPY2R (0.65)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31182744	0.88	NPY2R (0.67)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31105560	0.88	NPY2R (0.72)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30429118	0.88	NTSR1 (0.56)	CALCRRAMP3NMUR2NMUR1NTSR1
SCHEMBL31174208	0.88	CALCR (0.62)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30495811	0.88	NPY2R (0.66)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30567243	0.88	APLNR (0.58)	CALCRRAMP3NMUR2NMUR1NPY2R
SCHEMBL30712942	0.88	APLNR (0.59)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30432811	0.88	NPY2R (0.60)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30607503	0.87	RAMP3 (0.65)	CALCRRAMP3NMUR2NMUR1NPY2R

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