SCHEMBL30431303

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

nearest known ligand 0.61

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	7/20	0.61

▸	CALCR	P30988	7/20	0.61

▸	MC4R	P32245	1/20	0.60

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	CXCR4	P61073	1/20	0.58

▸	APLNR	P35414	1/20	0.57

▸	TFPI	P10646	2/20	0.57

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
SCHEMBL30432430	0.90	NPY2R (0.64)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30176412	0.90	MC4R (0.63)	CALCRMC4RNPY2RNPY4RNPY5R
SCHEMBL29456052	0.90	NPY2R (0.59)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30495794	0.89	CALCR (0.65)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29771673	0.88	NPY2R (0.65)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29525577	0.88	APLNR (0.64)	MC4RNPY2RNPY4RNPY5RNPY1R
SCHEMBL29526046	0.88	APLNR (0.64)	MC4RNPY2RNPY4RNPY5RNPY1R
SCHEMBL29525492	0.88	APLNR (0.64)	MC4RAPLNRTFPI
SCHEMBL31182565	0.88	CXCR4 (0.63)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29945130	0.87	APLNR (0.67)	RAMP3CALCRMC4RAPLNR

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