SCHEMBL30439482

C[C@@H](O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	3/20	0.48

▸	OPRD1	P41143	3/20	0.48

▸	BACE1	P56817	9/20	0.47

▸	BACE2	Q9Y5Z0	2/20	0.47

▸	KISS1R	Q969F8	3/20	0.47

▸	CTSD	P07339	1/20	0.46

▸	OPRK1	P41145	1/20	0.45

▸	GNPAT	O15228	1/20	0.45

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
SCHEMBL30439546	0.95	OPRM1 (0.53)	OPRM1OPRD1BACE1BACE2KISS1R
SCHEMBL30439300	0.95	OPRM1 (0.53)	OPRM1OPRD1BACE1BACE2KISS1R
SCHEMBL30439281	0.95	OPRM1 (0.53)	OPRM1OPRD1BACE1BACE2KISS1R
SCHEMBL31307684	0.95	GNPAT (0.50)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL31307637	0.95	GNPAT (0.50)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL31343215	0.94	GNPAT (0.51)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL30439268	0.93	OPRM1 (0.55)	OPRM1OPRD1BACE1BACE2KISS1R
SCHEMBL34462433	0.93	MME (0.51)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL31343199	0.93	MME (0.51)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL34462427	0.93	MME (0.51)	OPRM1OPRD1BACE1BACE2CTSD

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
EP-3556769-B1	POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF	INST MED BIOTECHNOLOGY CAMS (CN)	2023-06-14	—	—	EP	disclosed