SCHEMBL8142396

CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.49

▸	BACE2	Q9Y5Z0	2/20	0.49

▸	OPRK1	P41145	1/20	0.48

▸	CALCRL	Q16602	1/20	0.48

▸	REN	P00797	1/20	0.47

▸	ACE	P12821	4/20	0.47

▸	ACE2	Q9BYF1	4/20	0.47

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
SCHEMBL30094362	0.87	SLC6A2 (0.54)	OPRK1REN
SCHEMBL30445527	0.86	CALCRL (0.54)	OPRK1CALCRLACEACE2
SCHEMBL30059638	0.85	SLC6A2 (0.63)	BACE1CALCRLREN
SCHEMBL30440345	0.84	ACE (0.60)	OPRK1ACEACE2
SCHEMBL30051643	0.84	ACE (0.60)	OPRK1ACEACE2
SCHEMBL31548690	0.84	CALCRL (0.58)	BACE1BACE2CALCRL
SCHEMBL29471358	0.83	CALCRL (0.54)	BACE1BACE2OPRK1CALCRL
SCHEMBL30051262	0.83	ACE (0.55)	ACEACE2
SCHEMBL4264460	0.83	OPRK1 (0.64)	OPRK1ACEACE2
SCHEMBL4264470	0.83	OPRK1 (0.64)	OPRK1ACEACE2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6046042-A	AMINO ACID SEQUENCE; FOR PREFERENTIALLY PRODUCING (S)-CYANOHYDRINS	DSM CHEMIE LINZ GMBH (AT)	2000-04-04	—	—	US	disclosed
EP-0840792-A2	(S)-HYDROXYNITRILLYASE FROM HEVEA BRASILIENSIS	DSM Chemie Linz GmbH (AT)	1998-05-13	—	—	EP	disclosed
WO-1997003204-A2	(S)-HYDROXYNITRILLYASE FROM HEVEA BRASILIENSIS	DSM CHEMIE LINZ GMBH (AT)	1997-01-30	—	—	WO	disclosed