SCHEMBL9478089

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

nearest known ligand 0.53

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	1/20	0.53

▸	SLC6A2	P23975	1/20	0.52

▸	ACE	P12821	9/20	0.52

▸	ACE2	Q9BYF1	4/20	0.52

▸	REN	P00797	1/20	0.51

▸	OPRK1	P41145	1/20	0.49

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
SCHEMBL9478081	1.00	CALCRL (0.53)	CALCRLSLC6A2ACEACE2REN
SCHEMBL29666711	0.92	ACE (0.59)	CALCRLSLC6A2ACEACE2OPRK1
SCHEMBL29666840	0.90	ACE (0.58)	ACEACE2
SCHEMBL18911397	0.89	ACE (0.56)	ACEACE2
SCHEMBL18911396	0.89	ACE (0.56)	ACEACE2
SCHEMBL30052918	0.89	ACE (0.60)	SLC6A2ACEACE2
SCHEMBL28256389	0.89	ACE (0.60)	SLC6A2ACEACE2
SCHEMBL31411888	0.88	ACE (0.55)	CALCRLACEACE2
SCHEMBL29666748	0.87	ACE (0.57)	CALCRLSLC6A2ACEACE2OPRK1
SCHEMBL29666740	0.87	ACE (0.58)	ACEACE2OPRK1

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
US-5225528-A	Controlling premature labor	MERCK & CO., INC. (US)	1993-07-06	—	—	US	disclosed