SCHEMBL29410248

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

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	6/20	0.62

▸	OPRM1	P35372	2/20	0.60

▸	OPRD1	P41143	2/20	0.60

▸	OPRK1	P41145	2/20	0.60

▸	CALCR	P30988	4/20	0.59

▸	RAMP3	O60896	1/20	0.59

▸	F2	P00734	4/20	0.59

▸	NMUR2	Q9GZQ4	1/20	0.59

▸	NMUR1	Q9HB89	1/20	0.59

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
SCHEMBL30429340	0.93	OPRM1 (0.60)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL31182741	0.92	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29973255	0.91	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607287	0.90	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29479810	0.89	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607406	0.88	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30431820	0.88	CALCR (0.60)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30432958	0.88	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607439	0.88	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31000872	0.88	CALCR (0.60)	OPRM1OPRD1OPRK1CALCRRAMP3

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-11274129-B2	Methods for protein tyrosine phosphorylation profiling with variant SH2 domains	Li, Shun-Cheng (CA)	2022-03-15	—	—	US	disclosed