SCHEMBL31018317

C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	1/20	0.53

▸	CALCR	P30988	4/20	0.52

▸	CALCRL	Q16602	1/20	0.52

▸	NTSR2	O95665	3/20	0.51

▸	NTSR1	P30989	3/20	0.51

▸	SORT1	Q99523	2/20	0.51

▸	OPRM1	P35372	2/20	0.51

▸	OPRD1	P41143	2/20	0.51

▸	OPRK1	P41145	2/20	0.51

▸	MAPK8	P45983	1/20	0.50

▸	MAPK9	P45984	1/20	0.50

▸	MAPK10	P53779	1/20	0.50

▸	OXTR	P30559	1/20	0.50

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
SCHEMBL31018312	0.98	CALCR (0.55)	SLC6A2CALCRCALCRLNTSR2NTSR1
SCHEMBL31018327	0.95	NTSR1 (0.56)	NTSR2NTSR1SORT1OPRM1OPRD1
SCHEMBL31018333	0.92	CALCR (0.55)	CALCRNTSR2NTSR1SORT1OPRM1
SCHEMBL31018311	0.89	CXCR4 (0.47)	CALCRCALCRLOPRM1OPRD1OPRK1
SCHEMBL31018335	0.89	CXCR4 (0.48)	CALCRCALCRLOPRM1OPRD1OPRK1
SCHEMBL30233475	0.88	OPRD1 (0.59)	CALCRNTSR1OPRM1OPRD1
SCHEMBL30233254	0.86	OPRD1 (0.61)	CALCROPRM1OPRD1
SCHEMBL30753761	0.86	OPRD1 (0.61)	CALCROPRM1OPRD1
SCHEMBL30327462	0.85	SLC6A2 (0.59)	SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL17742874	0.85	OPRM1 (0.51)	SLC6A2CALCRNTSR2NTSR1SORT1

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-112891512-B	Use of polypeptide compounds for preventing or treating liver fibrosis	清远市图微安创科技开发有限公司	2024-07-26	—	—	CN	disclosed