SCHEMBL7388080

C[C@H](NC(=O)C[C@@H](Cc1csc(N)n1)C(=O)N(CC(=O)N(C)C)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	16/20	0.44

▸	CTSD	P07339	1/20	0.44

▸	MEN1	O00255	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	FFAR2	O15552	1/20	0.35

▸	NMT2	O60551	1/20	0.35

▸	NMT1	P30419	1/20	0.35

▸	MMP2	P08253	1/20	0.34

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
SCHEMBL7389545	0.93	REN (0.51)	RENCTSD
SCHEMBL7390901	0.91	REN (0.42)	RENCTSDMEN1KMT2AFFAR2
SCHEMBL7389874	0.86	REN (0.39)	RENCTSDFFAR2
SCHEMBL7388466	0.84	REN (0.49)	RENCTSD
SCHEMBL7387743	0.84	REN (0.58)	RENCTSD
SCHEMBL7391411	0.83	REN (0.66)	RENCTSD
SCHEMBL7396421	0.82	REN (0.54)	RENCTSD
SCHEMBL7389249	0.82	REN (0.51)	RENCTSD
SCHEMBL7383323	0.82	REN (0.49)	RENCTSDMMP2
SCHEMBL7396227	0.81	REN (0.54)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0589445-B1	Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives	BIO MEGA BOEHRINGER INGELHEIM (CA)	1997-01-15	—	—	EP	claimed
WO-1994007846-A1	RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES	BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA)	1994-04-14	—	—	WO	claimed