SCHEMBL30862322

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.68

▸	GLP1R	P43220	8/20	0.64

▸	CXCR4	P61073	7/20	0.64

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	GCGR	P47871	3/20	0.62

▸	CCKBR	P32239	2/20	0.61

▸	NMBR	P28336	1/20	0.58

▸	GRPR	P30550	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
SCHEMBL29416022	0.91	CXCR4 (0.72)	C5AR1GLP1RCXCR4NPY1RNPY2R
SCHEMBL31182507	0.90	NPY1R (0.72)	C5AR1GLP1RCXCR4NPY1RNPY2R
SCHEMBL30495687	0.90	NPY1R (0.68)	C5AR1GLP1RCXCR4NPY1RNPY2R
SCHEMBL31182548	0.90	GLP1R (0.70)	C5AR1GLP1RCXCR4NPY1RNPY2R
SCHEMBL29755703	0.90	GLP1R (0.72)	C5AR1GLP1RCXCR4NPY1RNPY2R
SCHEMBL30432159	0.90	C5AR1 (0.73)	C5AR1GLP1RCXCR4NPY1RNPY2R
SCHEMBL31182510	0.90	C5AR1 (0.65)	C5AR1GLP1RCXCR4NPY1RNPY2R
SCHEMBL31182590	0.90	GLP1R (0.68)	C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29638067	0.90	GLP1R (0.74)	C5AR1GLP1RCXCR4NPY1RNPY2R
SCHEMBL29638062	0.90	GLP1R (0.74)	C5AR1GLP1RCXCR4NPY1RNPY2R

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