SCHEMBL30646311

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	3/20	0.58

▸	RAMP3	O60896	7/20	0.54

▸	CALCR	P30988	7/20	0.54

▸	C5AR1	P21730	1/20	0.53

▸	NPY2R	P49146	6/20	0.53

▸	NPY4R	P50391	6/20	0.53

▸	NPY5R	Q15761	6/20	0.53

▸	NPY1R	P25929	4/20	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
SCHEMBL29416007	1.00	APLNR (0.58)	APLNRRAMP3CALCRC5AR1NPY2R
SCHEMBL30495819	0.90	NPY2R (0.59)	APLNRCALCRNPY2RNPY4RNPY5R
SCHEMBL30881892	0.89	C5AR1 (0.70)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31307221	0.88	C5AR1 (0.57)	APLNRRAMP3CALCRC5AR1NPY2R
SCHEMBL31307222	0.88	C5AR1 (0.56)	APLNRRAMP3CALCRC5AR1NPY2R
SCHEMBL30712933	0.88	C5AR1 (0.62)	APLNRCALCRC5AR1NPY2RNPY4R
SCHEMBL31670660	0.88	NPY2R (0.66)	APLNRCALCRNPY2RNPY4RNPY5R
SCHEMBL30262145	0.88	MC4R (0.59)	APLNRCALCRC5AR1NPY2RNPY4R
SCHEMBL30512692	0.88	C5AR1 (0.58)	APLNRC5AR1NPY2RNPY4RNPY5R
SCHEMBL29608128	0.87	CXCR4 (0.57)	APLNRC5AR1

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