SCHEMBL30431997

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(C)C)C(=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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.66

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	GLP1R	P43220	9/20	0.56

▸	SCTR	P47872	1/20	0.56

▸	GCGR	P47871	4/20	0.54

▸	IL23R	Q5VWK5	2/20	0.53

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
SCHEMBL30658252	0.93	CALCR (0.71)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30262214	0.92	CRHR1 (0.59)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30804653	0.91	CALCR (0.59)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL29720259	0.91	CALCR (0.58)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL31000893	0.91	CALCR (0.67)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30658217	0.90	CALCR (0.73)	CALCRCRHR1CRHR2GLP1R
SCHEMBL30658321	0.90	CRHR1 (0.70)	CALCRCRHR1CRHR2GLP1R
SCHEMBL30874401	0.90	GLP1R (0.66)	CALCRGLP1RSCTRGCGR
SCHEMBL30874397	0.90	GLP1R (0.66)	CALCRGLP1RSCTRGCGR
SCHEMBL30658319	0.90	CALCR (0.73)	CALCRCRHR1CRHR2GLP1R

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