SCHEMBL30432919

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.64

▸	APLNR	P35414	2/20	0.63

▸	C5AR1	P21730	1/20	0.59

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	F2	P00734	4/20	0.58

▸	GLP1R	P43220	2/20	0.58

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	KDM1A	O60341	1/20	0.56

▸	GCGR	P47871	1/20	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
SCHEMBL31182551	0.93	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31182700	0.92	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30495724	0.91	CALCR (0.66)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31182808	0.90	CALCR (0.69)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31419713	0.89	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RNPY1R
SCHEMBL6437853	0.89	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL29895442	0.89	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30358145	0.89	CALCR (0.68)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31182500	0.89	CALCR (0.72)	CALCRAPLNRCRHR1CRHR2F2
SCHEMBL30974380	0.88	C5AR1 (0.62)	CALCRAPLNRC5AR1F2

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