SCHEMBL29442113

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.58

▸	NPY5R	Q15761	4/20	0.55

▸	NPY1R	P25929	3/20	0.55

▸	NPY4R	P50391	3/20	0.55

▸	NMUR2	Q9GZQ4	5/20	0.54

▸	NMUR1	Q9HB89	5/20	0.54

▸	OPRM1	P35372	8/20	0.52

▸	OPRK1	P41145	6/20	0.52

▸	OPRD1	P41143	2/20	0.51

▸	NTSR1	P30989	1/20	0.51

▸	NPY2R	P49146	1/20	0.50

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
SCHEMBL29442102	0.94	EPHA2 (0.58)	EPHA2NPY5RNPY1RNPY4RNMUR2
SCHEMBL29442118	0.88	EPHA2 (0.57)	EPHA2NPY5RNPY1RNPY4ROPRM1
SCHEMBL29442099	0.86	OPRD1 (0.59)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31307287	0.84	EPHA2 (0.57)	EPHA2NPY5RNPY1RNPY4RNMUR2
SCHEMBL30892660	0.84	EPHA2 (0.58)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31267119	0.83	NMUR2 (0.62)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267105	0.83	EPHA2 (0.55)	EPHA2NPY5RNPY1RNPY4RNMUR2
SCHEMBL30631706	0.82	OPRM1 (0.52)	EPHA2NPY5RNPY1RNPY4RNMUR2
SCHEMBL30605471	0.82	NMUR2 (0.63)	NPY5RNPY1RNPY4RNMUR2NMUR1
SCHEMBL31267111	0.82	NMUR2 (0.59)	EPHA2NMUR2NMUR1OPRM1OPRK1

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
US-20220096656-A1	NANOCARRIERS HAVING SURFACE CONJUGATED PEPTIDES AND USES THEREOF FOR SUSTAINED LOCAL RELEASE OF DRUGS	NORTHWESTERN UNIVERSITY	2022-03-31	—	—	US	disclosed