SCHEMBL30646308

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.64

▸	GLP1R	P43220	14/20	0.62

▸	GCGR	P47871	6/20	0.62

▸	GIPR	P48546	6/20	0.62

▸	CCKBR	P32239	2/20	0.61

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	CALCR	P30988	1/20	0.59

▸	CXCR4	P61073	1/20	0.59

▸	C5AR1	P21730	1/20	0.59

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
SCHEMBL29416193	1.00	KEAP1 (0.63)	KEAP1GLP1RGCGRGIPRCCKBR
SCHEMBL29416026	0.92	CXCR4 (0.64)	KEAP1GLP1RGCGRGIPRCCKBR
SCHEMBL30658220	0.91	GLP1R (0.72)	GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL31182590	0.91	GLP1R (0.68)	GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL30429121	0.91	MAPK8 (0.65)	KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL30646306	0.91	NPY1R (0.72)	GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL30692442	0.90	NPY1R (0.71)	GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL29416095	0.90	NPY1R (0.71)	GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL30721629	0.90	GLP1R (0.70)	KEAP1GLP1RGCGRGIPRCCKBR
SCHEMBL31182539	0.89	NPY1R (0.68)	KEAP1GLP1RGCGRGIPRCCKBR

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
EP-4275688-A2	METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH	Nymox Corporation (BS)	2023-11-15	—	—	EP	disclosed