SCHEMBL7287494

CC(=O)CN(CC1CCCCC1)C(=O)C[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	20/20	0.62

▸	CTSD	P07339	1/20	0.59

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
SCHEMBL7280012	1.00	REN (0.62)	RENCTSD
SCHEMBL7280335	0.93	REN (0.61)	RENCTSD
SCHEMBL7393260	0.93	REN (0.63)	RENCTSD
SCHEMBL7286744	0.90	REN (0.60)	RENCTSD
SCHEMBL7277111	0.90	REN (0.60)	RENCTSD
SCHEMBL7289854	0.90	REN (0.60)	RENCTSD
SCHEMBL9393286	0.87	REN (0.69)	REN
SCHEMBL7279564	0.86	REN (0.73)	REN
SCHEMBL7281596	0.85	REN (0.60)	RENCTSD
SCHEMBL7286690	0.84	REN (0.60)	RENCTSD

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-0589446-A1	N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors	BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA)	1994-03-30	—	—	EP	claimed