SCHEMBL30433090

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.64

▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	RAMP1	O60894	1/20	0.62

▸	RAMP2	O60895	1/20	0.62

▸	RAMP3	O60896	1/20	0.62

▸	CALCRL	Q16602	1/20	0.62

▸	C5AR1	P21730	1/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	EP300	Q09472	1/20	0.58

▸	HIF1A	Q16665	1/20	0.58

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
SCHEMBL31182495	0.93	NPY2R (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182486	0.93	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30198767	0.92	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29903219	0.92	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182654	0.91	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30512749	0.91	NPY2R (0.55)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29949425	0.90	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495828	0.90	CALCR (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182688	0.89	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432882	0.89	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R

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