SCHEMBL30866437

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	6/20	0.59

▸	BACE1	P56817	7/20	0.52

▸	BACE2	Q9Y5Z0	2/20	0.52

▸	CTSD	P07339	1/20	0.52

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	GNPAT	O15228	1/20	0.48

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
SCHEMBL30851228	0.96	OPRK1 (0.55)	OPRK1BACE1BACE2CTSDNPY1R
SCHEMBL30051484	0.96	OPRK1 (0.55)	OPRK1BACE1BACE2CTSDNPY1R
SCHEMBL30397627	0.91	OPRK1 (0.59)	OPRK1BACE1BACE2CTSDNPY1R
SCHEMBL30957128	0.91	OPRK1 (0.68)	OPRK1NPY1RNPY2RNPY4RGNPAT
SCHEMBL30957126	0.90	OPRK1 (0.69)	OPRK1NPY1RNPY2RNPY4RGNPAT
SCHEMBL30957125	0.90	OPRK1 (0.69)	OPRK1NPY1RNPY2RNPY4RGNPAT
SCHEMBL30957130	0.90	OPRK1 (0.69)	OPRK1NPY1RNPY2RNPY4RGNPAT
SCHEMBL30957134	0.90	OPRK1 (0.69)	OPRK1NPY1RNPY2RNPY4RGNPAT
SCHEMBL30957133	0.90	OPRK1 (0.69)	OPRK1NPY1RNPY2RNPY4RGNPAT
SCHEMBL30957135	0.90	OPRK1 (0.69)	OPRK1NPY1RNPY2RNPY4RGNPAT

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-20240117354-A1	COMPOSITIONS AND METHODS FOR MODULATING EXPRESSION OF GENES	VERSAMEB AG (CH)	2024-04-11	—	—	US	disclosed