SCHEMBL31529692

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.59

▸	APLNR	P35414	1/20	0.57

▸	NPY2R	P49146	4/20	0.56

▸	NPY4R	P50391	4/20	0.56

▸	NPY5R	Q15761	4/20	0.56

▸	NPY1R	P25929	3/20	0.56

▸	MC4R	P32245	1/20	0.55

▸	TFPI	P10646	1/20	0.55

▸	GLP1R	P43220	3/20	0.55

▸	GCGR	P47871	3/20	0.55

▸	OPRM1	P35372	2/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

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
SCHEMBL31529687	1.00	CALCR (0.59)	CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL29700297	0.89	APLNR (0.66)	CALCRAPLNRTFPI
SCHEMBL31040681	0.87	EPHA2 (0.56)	APLNROPRM1OPRK1
SCHEMBL29749731	0.87	APLNR (0.68)	CALCRAPLNRTFPI
SCHEMBL30141845	0.87	APLNR (0.68)	CALCRAPLNRTFPI
SCHEMBL30526201	0.86	OPRM1 (0.57)	APLNROPRM1OPRK1
SCHEMBL22451884	0.86	OPRM1 (0.64)	OPRM1OPRK1MAPK8MAPK9MAPK10
SCHEMBL30903277	0.86	C5AR1 (0.65)	CALCRAPLNRMC4RTFPIGLP1R
SCHEMBL30262145	0.86	MC4R (0.59)	CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL29949425	0.86	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R

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-119685444-A	Giant magneto-resistance biosensor for detecting protease and preparation method and application thereof	甘肃省科学院传感技术研究所	2025-03-25	—	—	CN	disclosed