SCHEMBL30432054

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.66

▸	CALCR	P30988	4/20	0.65

▸	HCRTR1	O43613	1/20	0.65

▸	HCRTR2	O43614	1/20	0.65

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	NTSR1	P30989	3/20	0.58

▸	NMBR	P28336	1/20	0.56

▸	GRPR	P30550	1/20	0.56

▸	NPY2R	P49146	3/20	0.56

▸	NPY4R	P50391	3/20	0.56

▸	NPY5R	Q15761	3/20	0.56

▸	NPY1R	P25929	2/20	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
SCHEMBL30712965	0.88	CALCR (0.71)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30431785	0.88	CALCR (0.68)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL29416142	0.88	CALCR (0.72)	F2CALCRCRHR1CRHR2NPY2R
SCHEMBL31603939	0.88	CALCR (0.70)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31182521	0.88	F2 (0.73)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30607303	0.87	CALCR (0.69)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31182562	0.87	CALCR (0.73)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31182848	0.87	F2 (0.64)	F2CALCRHCRTR1HCRTR2NPY2R
SCHEMBL31182518	0.87	CALCR (0.69)	F2CALCRCRHR1CRHR2NPY2R
SCHEMBL30432477	0.87	CALCR (0.78)	F2CALCRHCRTR1HCRTR2CRHR1

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