SCHEMBL29020839

CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NMBR	P28336	2/20	0.67

▸	GRPR	P30550	2/20	0.67

▸	CALCR	P30988	4/20	0.66

▸	GLP1R	P43220	10/20	0.65

▸	GCGR	P47871	7/20	0.65

▸	CCKBR	P32239	2/20	0.64

▸	GIPR	P48546	4/20	0.61

▸	CXCR4	P61073	1/20	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

▸	CALCA	P06881	1/20	0.61

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
SCHEMBL20534072	1.00	NMBR (0.67)	NMBRGRPRCALCRGLP1RGCGR
Acetic Acid SCHEMBL29378226	0.99	NMBR (0.66)	NMBRGRPRCALCRGLP1RGCGR
SCHEMBL25311922	0.99	NMBR (0.65)	NMBRGRPRCALCRGLP1RGCGR
SCHEMBL31359434	0.96	CALCR (0.71)	NMBRGRPRCALCRGLP1RGCGR
SCHEMBL29588042	0.94	CALCR (0.65)	NMBRGRPRCALCRGLP1RGCGR
SCHEMBL29588160	0.94	CALCR (0.66)	NMBRGRPRCALCRGLP1RGCGR
SCHEMBL20534064	0.94	CXCR4 (0.69)	GLP1RGCGRGIPRCXCR4NPY1R
SCHEMBL29020816	0.94	CXCR4 (0.69)	GLP1RGCGRGIPRCXCR4NPY1R
SCHEMBL29587876	0.94	CALCR (0.65)	NMBRGRPRCALCRGLP1RGCGR
SCHEMBL29588702	0.93	CALCR (0.64)	NMBRGRPRCALCRGLP1RGCGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-115920061-A	Combination therapy for HBV and HDV infection	MYR有限公司	2023-04-07	—	—	CN	claimed
CN-115920061-A	Combination therapy for HBV and HDV infection	MYR有限公司	2023-04-07	—	—	CN	disclosed