SCHEMBL30431854

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.61

▸	CTSL	P07711	3/20	0.58

▸	CTSS	P25774	3/20	0.58

▸	CTSK	P43235	3/20	0.58

▸	CTSH	P09668	1/20	0.58

▸	APLNR	P35414	3/20	0.55

▸	GLP1R	P43220	8/20	0.54

▸	GCGR	P47871	8/20	0.54

▸	GIPR	P48546	5/20	0.54

▸	F2	P00734	1/20	0.52

▸	NMUR2	Q9GZQ4	1/20	0.51

▸	NMUR1	Q9HB89	1/20	0.51

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
SCHEMBL31182655	0.87	MC4R (0.67)	MC4RAPLNRGLP1RGCGRGIPR
SCHEMBL31437181	0.86	MC4R (0.51)	MC4RCTSLCTSSCTSKCTSH
SCHEMBL30974189	0.86	F2 (0.56)	MC4RCTSLCTSSCTSKCTSH
SCHEMBL30423484	0.85	GLP1R (0.60)	GLP1RGCGRGIPR
SCHEMBL30455558	0.84	APLNR (0.62)	MC4RCTSLCTSSCTSKCTSH
SCHEMBL30526201	0.84	OPRM1 (0.57)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30974554	0.84	C5AR1 (0.58)	CTSLCTSSCTSKCTSHAPLNR
SCHEMBL29695502	0.84	APLNR (0.64)	MC4RCTSLCTSSCTSKCTSH
SCHEMBL31169469	0.84	C5AR1 (0.61)	MC4RF2
SCHEMBL31688333	0.84	APLNR (0.65)	MC4RAPLNRGLP1RGCGRF2

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