SCHEMBL29416107

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.69

▸	CCKBR	P32239	4/20	0.69

▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	0.68

▸	GCGR	P47871	6/20	0.67

▸	CALCR	P30988	4/20	0.67

▸	GIPR	P48546	3/20	0.65

▸	CXCR4	P61073	1/20	0.64

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
SCHEMBL30692441	0.99	GLP1R (0.69)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30530323	0.99	GLP1R (0.69)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL29416112	0.94	GLP1R (0.72)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30527854	0.94	GLP1R (0.72)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL29706316	0.93	GLP1R (0.71)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30721629	0.93	GLP1R (0.70)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30721635	0.93	GLP1R (0.70)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30658376	0.93	NPY1R (0.70)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL31190494	0.93	CALCR (0.72)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30721558	0.92	NPY1R (0.72)	GLP1RCCKBRNPY1RNPY2RNPY4R

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
CN-114099636-A	Method of treating a condition requiring cell destruction or removal using peptides derived from neurofilament proteins	尼莫克斯制药公司	2022-03-01	—	—	CN	disclosed