SCHEMBL30432727

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.63

▸	GLP1R	P43220	9/20	0.62

▸	GCGR	P47871	8/20	0.62

▸	C5AR1	P21730	1/20	0.60

▸	CXCR4	P61073	5/20	0.59

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	CTSL	P07711	2/20	0.59

▸	CTSS	P25774	2/20	0.59

▸	CTSK	P43235	2/20	0.59

▸	CTSH	P09668	1/20	0.59

▸	GIPR	P48546	5/20	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
SCHEMBL30495625	0.94	CXCR4 (0.67)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL30466127	0.93	GLP1R (0.69)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL31457380	0.91	CXCR4 (0.70)	GLP1RGCGRC5AR1CXCR4NPY1R
SCHEMBL30262010	0.90	CTSL (0.64)	APLNRGLP1RGCGRC5AR1NPY1R
SCHEMBL30466130	0.90	GLP1R (0.69)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30717268	0.89	C5AR1 (0.65)	APLNRGLP1RGCGRC5AR1CXCR4
SCHEMBL31457381	0.89	GLP1R (0.72)	GLP1RGCGRC5AR1CXCR4NPY1R
SCHEMBL30658311	0.88	CALCR (0.67)	APLNRGLP1RGCGRCXCR4NPY1R
SCHEMBL38665421	0.88	NPY1R (0.61)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL30658363	0.88	GLP1R (0.74)	GLP1RGCGRCXCR4NPY1RNPY2R

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