SCHEMBL29442099

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	5/20	0.59

▸	OPRM1	P35372	4/20	0.59

▸	EPHA2	P29317	2/20	0.58

▸	NMUR2	Q9GZQ4	5/20	0.57

▸	NMUR1	Q9HB89	5/20	0.57

▸	RAMP3	O60896	1/20	0.53

▸	CALCR	P30988	1/20	0.53

▸	NTSR1	P30989	1/20	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
SCHEMBL29442113	0.86	EPHA2 (0.58)	OPRD1OPRM1EPHA2NMUR2NMUR1
SCHEMBL31307232	0.86	EPHA2 (0.56)	OPRD1OPRM1EPHA2NMUR2NMUR1
SCHEMBL29442102	0.85	EPHA2 (0.58)	OPRD1OPRM1EPHA2NMUR2NMUR1
SCHEMBL30753759	0.85	NMUR2 (0.62)	OPRD1OPRM1EPHA2NMUR2NMUR1
SCHEMBL30335928	0.84	EPHA2 (0.68)	OPRD1OPRM1EPHA2NMUR2NMUR1
SCHEMBL30327403	0.84	EPHA2 (0.68)	OPRD1OPRM1EPHA2NMUR2NMUR1
SCHEMBL32670411	0.84	EPHA2 (0.68)	OPRD1OPRM1EPHA2NMUR2NMUR1
SCHEMBL11884818	0.84	NMUR2 (0.61)	OPRD1OPRM1NMUR2NMUR1
SCHEMBL11884805	0.84	NMUR2 (0.61)	OPRD1OPRM1NMUR2NMUR1
SCHEMBL30925570	0.84	OPRD1 (0.63)	OPRD1OPRM1EPHA2NMUR2NMUR1

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