SCHEMBL31206203

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BDKRB2	P30411	7/20	0.61

▸	F2	P00734	1/20	0.55

▸	EPHA2	P29317	2/20	0.54

▸	OPRM1	P35372	7/20	0.54

▸	OPRK1	P41145	6/20	0.54

▸	CXCR4	P61073	1/20	0.53

▸	C5AR1	P21730	1/20	0.52

▸	OPRD1	P41143	1/20	0.51

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
SCHEMBL11169796	0.93	BDKRB2 (0.67)	BDKRB2F2EPHA2OPRM1OPRD1
SCHEMBL29973203	0.93	BDKRB2 (0.67)	BDKRB2F2EPHA2OPRM1OPRD1
SCHEMBL9796830	0.91	BDKRB2 (0.65)	BDKRB2F2EPHA2OPRM1OPRD1
SCHEMBL9796839	0.91	BDKRB2 (0.65)	BDKRB2F2EPHA2OPRM1OPRD1
SCHEMBL25335885	0.91	BDKRB2 (0.68)	BDKRB2F2OPRM1OPRK1CXCR4
SCHEMBL30526215	0.91	BDKRB2 (0.68)	BDKRB2F2OPRM1OPRK1CXCR4
Bradykinin SCHEMBL7949684	0.90	BDKRB2 (0.67)	BDKRB2F2EPHA2OPRM1OPRD1
Bradykinin SCHEMBL7949679	0.90	BDKRB2 (0.67)	BDKRB2F2EPHA2OPRM1OPRD1
SCHEMBL31289571	0.89	BDKRB2 (0.66)	BDKRB2F2EPHA2OPRM1OPRK1
SCHEMBL30672603	0.89	BDKRB2 (0.66)	BDKRB2F2EPHA2OPRM1OPRK1

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-118894903-A	Amino acid compound, preparation method and medical application thereof	上海济煜医药科技有限公司	2024-11-05	—	—	CN	disclosed