SCHEMBL30431826

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=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(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.59

▸	F2	P00734	4/20	0.59

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	HCRTR1	O43613	1/20	0.55

▸	HCRTR2	O43614	1/20	0.55

▸	MC4R	P32245	1/20	0.52

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
SCHEMBL30432386	0.94	F2 (0.62)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL29865880	0.89	CALCR (0.57)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL31014074	0.88	CALCR (0.75)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL31182920	0.88	CALCR (0.71)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL30432465	0.88	CALCR (0.63)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL30432393	0.87	F2 (0.72)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL29961384	0.87	CALCR (0.63)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30382943	0.87	F2 (0.53)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29903339	0.86	CALCR (0.58)	CALCRF2CRHR1CRHR2NPY2R
SCHEMBL30804650	0.86	CALCR (0.72)	CALCRF2CRHR1CRHR2NPY2R

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