SCHEMBL29410246

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	6/20	0.62

▸	GCGR	P47871	3/20	0.62

▸	CXCR4	P61073	3/20	0.61

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	CALCR	P30988	3/20	0.60

▸	KDM1A	O60341	2/20	0.59

▸	C5AR1	P21730	1/20	0.59

▸	APLNR	P35414	1/20	0.58

▸	MC4R	P32245	1/20	0.57

▸	MC5R	P33032	1/20	0.57

▸	MC3R	P41968	1/20	0.57

▸	MC1R	Q01726	1/20	0.57

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
SCHEMBL30646304	0.91	KDM1A (0.65)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL29416125	0.91	KDM1A (0.65)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL31182574	0.91	CALCR (0.63)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL31182586	0.90	GLP1R (0.70)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30159330	0.89	CALCR (0.73)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31182548	0.88	GLP1R (0.70)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL31457381	0.88	GLP1R (0.72)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL30432412	0.88	GLP1R (0.64)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30800084	0.88	NPY1R (0.71)	GLP1RGCGRCXCR4NPY1RNPY2R
SCHEMBL30800087	0.88	NPY1R (0.71)	GLP1RGCGRCXCR4NPY1RNPY2R

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