SCHEMBL29588523

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

nearest known ligand 0.71

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	GLP1R	P43220	7/20	0.66

▸	CCKBR	P32239	4/20	0.66

▸	CXCR4	P61073	1/20	0.65

▸	NMBR	P28336	2/20	0.62

▸	GRPR	P30550	2/20	0.62

▸	GCGR	P47871	3/20	0.62

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

▸	CALCA	P06881	2/20	0.60

▸	KEAP1	Q14145	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
SCHEMBL29588160	0.98	CALCR (0.66)	CALCRGLP1RCCKBRCXCR4NMBR
SCHEMBL29588702	0.97	CALCR (0.64)	CALCRGLP1RCCKBRCXCR4NMBR
SCHEMBL29588042	0.97	CALCR (0.65)	CALCRGLP1RCCKBRCXCR4NMBR
SCHEMBL29587876	0.95	CALCR (0.65)	CALCRGLP1RCCKBRCXCR4NMBR
SCHEMBL30540291	0.94	CALCR (0.61)	CALCRGLP1RCCKBRCXCR4NMBR
SCHEMBL31000889	0.93	GLP1R (0.71)	CALCRGLP1RCCKBRCXCR4NMBR
SCHEMBL20534072	0.93	NMBR (0.67)	CALCRGLP1RCCKBRCXCR4NMBR
SCHEMBL29020839	0.93	NMBR (0.67)	CALCRGLP1RCCKBRCXCR4NMBR
Acetic Acid SCHEMBL29378226	0.92	NMBR (0.66)	CALCRGLP1RCCKBRNMBRGRPR
SCHEMBL25311922	0.92	NMBR (0.65)	CALCRGLP1RCCKBRCXCR4NMBR

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-114478709-A	Long-acting hepatitis virus entry inhibitor	成都奥达生物科技有限公司	2022-05-13	—	—	CN	disclosed