SCHEMBL30646306

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)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 0.73

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.72

▸	NPY2R	P49146	1/20	0.72

▸	NPY4R	P50391	1/20	0.72

▸	NPY5R	Q15761	1/20	0.72

▸	GLP1R	P43220	12/20	0.69

▸	CCKBR	P32239	2/20	0.69

▸	CALCR	P30988	4/20	0.69

▸	C5AR1	P21730	1/20	0.67

▸	GCGR	P47871	1/20	0.66

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
SCHEMBL29416095	1.00	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30692442	1.00	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29991271	0.95	GLP1R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721558	0.94	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658209	0.94	NPY1R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721620	0.94	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182708	0.94	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721629	0.94	GLP1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29706260	0.94	GLP1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721577	0.94	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R

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