SCHEMBL7399271

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	EDNRA	P25101	1/20	0.65

▸	ACE	P12821	2/20	0.61

▸	KMT2A	Q03164	1/20	0.59

▸	L3MBTL1	Q9Y468	1/20	0.59

▸	ECE1	P42892	12/20	0.57

▸	ERAP2	Q6P179	1/20	0.55

▸	ALOX15	P16050	1/20	0.54

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
SCHEMBL29603366	1.00	EDNRA (0.65)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL29603065	1.00	EDNRA (0.65)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL31228860	0.94	KMT2A (0.61)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL30051778	0.93	ACE (0.64)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL29973357	0.93	EDNRA (0.73)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL30577908	0.93	EDNRA (0.63)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL30051687	0.93	ECE1 (0.65)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL30533180	0.91	EDNRA (0.68)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL7401708	0.91	EDNRA (0.61)	EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL29603848	0.91	ERAP2 (0.62)	EDNRAACEKMT2AL3MBTL1ECE1

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
WO-1993011154-A1	INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN	BERLEX LABORATORIES, INC. (US)	1993-06-10	—	—	WO	claimed