SCHEMBL31359434

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)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)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](Cc1ccccc1)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](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)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 0.71

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.71

▸	F2	P00734	4/20	0.63

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

▸	NMBR	P28336	1/20	0.59

▸	GRPR	P30550	1/20	0.59

▸	TFPI	P10646	2/20	0.59

▸	GLP1R	P43220	3/20	0.58

▸	GCGR	P47871	3/20	0.58

▸	APLNR	P35414	1/20	0.58

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	0.96	NMBR (0.67)	CALCRNMBRGRPRGLP1RGCGR
SCHEMBL29020839	0.96	NMBR (0.67)	CALCRNMBRGRPRGLP1RGCGR
Acetic Acid SCHEMBL29378226	0.95	NMBR (0.66)	CALCRNMBRGRPRGLP1RGCGR
SCHEMBL25311922	0.95	NMBR (0.65)	CALCRNMBRGRPRGLP1RGCGR
SCHEMBL29588042	0.90	CALCR (0.65)	CALCRNMBRGRPRGLP1RGCGR
SCHEMBL29588160	0.89	CALCR (0.66)	CALCRF2NMBRGRPRGLP1R
SCHEMBL20534064	0.89	CXCR4 (0.69)	TFPIGLP1RGCGR
SCHEMBL29020816	0.89	CXCR4 (0.69)	TFPIGLP1RGCGR
SCHEMBL29587876	0.89	CALCR (0.65)	CALCRF2NMBRGRPRGLP1R
SCHEMBL29588702	0.89	CALCR (0.64)	CALCRF2NMBRGRPRGLP1R

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-119258218-A	Treatment with HTCP inhibitors	MYR有限公司	2025-01-07	—	—	CN	disclosed