SCHEMBL30862308

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

nearest known ligand 0.68

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	MC4R	P32245	1/20	0.62

▸	CXCR4	P61073	2/20	0.62

▸	GLP1R	P43220	3/20	0.61

▸	GCGR	P47871	3/20	0.61

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	APLNR	P35414	1/20	0.60

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
SCHEMBL30219087	0.93	CALCR (0.71)	CALCRMC4RCXCR4GLP1RGCGR
SCHEMBL30231481	0.93	CALCR (0.71)	CALCRMC4RCXCR4GLP1RGCGR
SCHEMBL31182442	0.93	CALCR (0.73)	CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL30231506	0.93	CALCR (0.71)	CALCRCXCR4GLP1RGCGRAPLNR
SCHEMBL30219064	0.93	CALCR (0.71)	CALCRCXCR4GLP1RGCGRAPLNR
Acetic Acid SCHEMBL30219088	0.93	CALCR (0.70)	CALCRMC4RCXCR4GLP1RGCGR
Acetic Acid SCHEMBL30219069	0.93	CALCR (0.70)	CALCRMC4RCXCR4GLP1RGCGR
Acetic Acid SCHEMBL30219057	0.92	CALCR (0.70)	CALCRCXCR4GLP1RGCGRAPLNR
Acetic Acid SCHEMBL30219038	0.92	CALCR (0.70)	CALCRCXCR4GLP1RGCGRAPLNR
SCHEMBL30524366	0.91	CALCR (0.70)	CALCRMC4RCXCR4GLP1RGCGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20240124552-A1	METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS	BAYLOR COLLEGE OF MEDICINE	2024-04-18	—	—	US	disclosed