SCHEMBL16847816

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	2/20	0.52

▸	OPRD1	P41143	12/20	0.46

▸	OPRM1	P35372	5/20	0.46

▸	NTSR2	O95665	1/20	0.46

▸	NTSR1	P30989	1/20	0.46

▸	CCKAR	P32238	3/20	0.45

▸	CCKBR	P32239	3/20	0.45

▸	ANPEP	P15144	1/20	0.45

▸	LNPEP	Q9UIQ6	1/20	0.45

▸	OPRK1	P41145	1/20	0.44

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
SCHEMBL24504179	0.94	F2 (0.54)	F2OPRD1OPRM1NTSR2NTSR1
SCHEMBL16847714	0.91	F2 (0.49)	F2NTSR2NTSR1ANPEPLNPEP
SCHEMBL24516989	0.89	F2 (0.56)	F2OPRD1NTSR2NTSR1CCKAR
SCHEMBL30558191	0.87	F2 (0.52)	F2OPRD1OPRM1NTSR2NTSR1
SCHEMBL31253371	0.86	OPRD1 (0.52)	F2OPRD1OPRM1NTSR2NTSR1
SCHEMBL24517139	0.85	OPRD1 (0.54)	F2OPRD1OPRM1NTSR2NTSR1
SCHEMBL9058846	0.85	OPRD1 (0.56)	F2OPRD1OPRM1NTSR2NTSR1
SCHEMBL30168761	0.83	F2 (0.58)	F2ANPEPLNPEP
SCHEMBL30168728	0.83	TFPI (0.58)	F2
SCHEMBL24504159	0.83	F2 (0.49)	F2OPRD1NTSR2NTSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2886531-B1	Aspartic acid derivatives	MERCK PATENT GMBH (DE)	2016-06-08	—	—	EP	disclosed
EP-2886531-A1	Aspartic acid derivatives	Merck Patent GmbH (DE)	2015-06-24	—	—	EP	disclosed