SCHEMBL30753221

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.61

▸	NMUR1	Q9HB89	5/20	0.61

▸	F2	P00734	5/20	0.61

▸	OPRD1	P41143	3/20	0.60

▸	NTSR1	P30989	2/20	0.60

▸	NTSR2	O95665	1/20	0.59

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	EPHA2	P29317	1/20	0.57

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
SCHEMBL23278082	0.99	NMUR2 (0.64)	NMUR2NMUR1F2OPRD1NTSR1
SCHEMBL25739	0.99	NMUR2 (0.64)	NMUR2NMUR1F2OPRD1NTSR1
SCHEMBL29389211	0.99	NMUR2 (0.64)	NMUR2NMUR1F2OPRD1NTSR1
Acetic Acid SCHEMBL2037978	0.98	NMUR2 (0.63)	NMUR2NMUR1F2OPRD1NPY1R
SCHEMBL28366588	0.98	NMUR2 (0.65)	NMUR2NMUR1F2NTSR1NTSR2
SCHEMBL23630197	0.97	NMUR2 (0.62)	NMUR2NMUR1F2OPRD1NPY1R
Trifluoroacetic Acid SCHEMBL2034151	0.96	NMUR2 (0.61)	NMUR2NMUR1F2OPRD1NPY1R
Trifluoroacetic Acid SCHEMBL4139781	0.96	NMUR2 (0.61)	NMUR2NMUR1F2OPRD1NPY1R
Trifluoroacetic Acid SCHEMBL29454826	0.96	NMUR2 (0.61)	NMUR2NMUR1F2OPRD1NPY1R
Trifluoroacetic Acid SCHEMBL16029740	0.96	NMUR2 (0.61)	NMUR2NMUR1F2OPRD1NPY1R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117088966-A	Synthesis method of bivalirudin impurity	江苏诺泰澳赛诺生物制药股份有限公司	2023-11-21	—	—	CN	claimed
CN-117088966-A	Synthesis method of bivalirudin impurity	江苏诺泰澳赛诺生物制药股份有限公司	2023-11-21	—	—	CN	disclosed
CN-117088966-A	Synthesis method of bivalirudin impurity	江苏诺泰澳赛诺生物制药股份有限公司	2023-11-21	—	—	CN	disclosed