SCHEMBL30432093

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

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	6/20	0.62

▸	TFPI	P10646	6/20	0.62

▸	KDM1A	O60341	3/20	0.62

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	RAMP3	O60896	1/20	0.56

▸	CALCR	P30988	1/20	0.56

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
SCHEMBL31182850	0.89	TFPI (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182597	0.87	KEAP1 (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30358165	0.86	KDM1A (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31031546	0.86	KDM1A (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495778	0.85	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31222180	0.85	TFPI (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182776	0.85	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29652676	0.85	TFPI (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29625798	0.85	TFPI (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495648	0.85	RAMP3 (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI

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