SCHEMBL30431287

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.57

▸	CTSL	P07711	3/20	0.56

▸	CTSS	P25774	3/20	0.56

▸	CTSK	P43235	3/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	APLNR	P35414	1/20	0.55

▸	TFPI	P10646	4/20	0.54

▸	NPY2R	P49146	5/20	0.53

▸	NPY4R	P50391	5/20	0.53

▸	NPY5R	Q15761	5/20	0.53

▸	NPY1R	P25929	4/20	0.53

▸	F2	P00734	2/20	0.53

▸	CXCR4	P61073	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
SCHEMBL29638078	0.89	APLNR (0.57)	MC4RAPLNRNPY2RNPY4RNPY5R
SCHEMBL4807604	0.88	APLNR (0.56)	MC4RAPLNRCXCR4
SCHEMBL4807584	0.88	APLNR (0.56)	MC4RAPLNRCXCR4
SCHEMBL31186830	0.87	F2 (0.57)	MC4RCTSLCTSSCTSKCTSH
SCHEMBL31031602	0.87	F2 (0.59)	MC4RAPLNRF2CXCR4
SCHEMBL29945130	0.87	APLNR (0.67)	MC4RCTSLCTSSCTSKCTSH
SCHEMBL30431303	0.87	RAMP3 (0.61)	MC4RAPLNRTFPINPY2RNPY4R
SCHEMBL30767705	0.86	MC4R (0.64)	MC4RAPLNRTFPINPY2RNPY4R
SCHEMBL30495660	0.86	CALCR (0.58)	MC4RNPY2RNPY4RNPY5RNPY1R
SCHEMBL30906561	0.86	NPY2R (0.65)	TFPINPY2RNPY4RNPY5RNPY1R

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