SCHEMBL30441110

CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.54

▸	NMUR1	Q9HB89	4/20	0.54

▸	NPY4R	P50391	9/20	0.53

▸	NPY1R	P25929	6/20	0.53

▸	NPY5R	Q15761	4/20	0.53

▸	NPY2R	P49146	3/20	0.53

▸	OPRM1	P35372	6/20	0.51

▸	OPRK1	P41145	6/20	0.51

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
SCHEMBL30293724	0.89	NPY4R (0.56)	NMUR2NMUR1NPY4RNPY1RNPY5R
SCHEMBL29972993	0.85	NMUR2 (0.60)	NMUR2NMUR1NPY4RNPY1RNPY5R
SCHEMBL30689268	0.85	OPRK1 (0.58)	NMUR2NMUR1NPY4RNPY1RNPY5R
SCHEMBL30689267	0.85	OPRK1 (0.59)	NMUR2NMUR1NPY4RNPY1RNPY5R
SCHEMBL18176610	0.85	OPRK1 (0.63)	NMUR2NMUR1NPY4RNPY1RNPY5R
SCHEMBL31679413	0.84	OPRM1 (0.53)	NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL31384592	0.84	NPY4R (0.60)	NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL31384595	0.84	NPY4R (0.60)	NPY4RNPY1RNPY5RNPY2ROPRM1
Hydrochloric Acid SCHEMBL11665303	0.83	NMUR2 (0.58)	NMUR2NMUR1NPY4RNPY1RNPY5R
SCHEMBL24360693	0.83	OPRK1 (0.66)	NMUR2NMUR1NPY4RNPY1RNPY5R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116217672-A	Pure gonadotropin releasing hormone antagonist cetrorelix	海南中和药业股份有限公司	2023-06-06	—	—	CN	claimed
CN-116217672-A	Pure gonadotropin releasing hormone antagonist cetrorelix	海南中和药业股份有限公司	2023-06-06	—	—	CN	disclosed