SCHEMBL31129141

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.59

▸	OPRD1	P41143	5/20	0.58

▸	EPHA2	P29317	2/20	0.54

▸	NTSR1	P30989	2/20	0.54

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	OPRM1	P35372	1/20	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
SCHEMBL31129138	0.98	OPRD1 (0.61)	C5AR1OPRD1EPHA2NTSR1NPY1R
SCHEMBL30872254	0.97	C5AR1 (0.58)	C5AR1OPRD1EPHA2NPY1RNPY2R
SCHEMBL31129133	0.97	OPRD1 (0.62)	C5AR1OPRD1EPHA2NTSR1OPRM1
SCHEMBL31129136	0.96	OPRD1 (0.56)	C5AR1OPRD1EPHA2NTSR1NPY1R
SCHEMBL31129150	0.96	OPRD1 (0.59)	C5AR1OPRD1EPHA2NPY1RNPY2R
SCHEMBL31129143	0.95	OPRD1 (0.57)	C5AR1OPRD1NPY1RNPY2RNPY4R
SCHEMBL31129142	0.93	OPRD1 (0.57)	OPRD1NTSR1NPY1RNPY2RNPY4R
SCHEMBL31633302	0.93	NPY2R (0.63)	OPRD1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30105815	0.93	NPY2R (0.63)	OPRD1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31129135	0.92	NPY2R (0.60)	OPRD1NPY1RNPY2RNPY4RNPY5R

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
CN-118745209-A	Stable antibacterial peptide in blood plasma and preparation method and application thereof	国家纳米科学中心	2024-10-08	—	—	CN	disclosed