SCHEMBL4754633

COCCCc1c[nH]c2ccc(C(C)[C@@H](C[C@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](O)C[C@H](C(=O)NCC3CC3)C(C)C)C(C)C)cc12

nearest known ligand 0.34

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	2/20	0.33

▸	REN	P00797	5/20	0.32

▸	HTR1D	P28221	2/20	0.32

▸	HTR1B	P28222	2/20	0.32

▸	F10	P00742	2/20	0.32

▸	PRSS1	P07477	2/20	0.32

▸	HTR4	Q13639	1/20	0.31

▸	ABCG2	Q9UNQ0	1/20	0.31

▸	ALDH1A1	P00352	2/20	0.30

▸	MTNR1A	P48039	1/20	0.30

▸	MTNR1B	P49286	1/20	0.30

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
SCHEMBL4755820	0.90	REN (0.35)	RENHTR1DHTR1BHTR4ALDH1A1
SCHEMBL4756814	0.88	GSK3B (0.33)	CTSDRENF10PRSS1ALDH1A1
SCHEMBL4757263	0.80	REN (0.33)	CTSDRENF10PRSS1ALDH1A1
SCHEMBL4756494	0.78	REN (0.34)	REN
SCHEMBL1047567	0.77	HTR1D (0.39)	HTR1DHTR1BALDH1A1MTNR1AMTNR1B
SCHEMBL4754622	0.75	REN (0.42)	REN
SCHEMBL8469012	0.75	REN (0.42)	REN
SCHEMBL1049891	0.73	MTNR1A (0.35)	ALDH1A1MTNR1AMTNR1B
SCHEMBL3769416	0.73	HTR1D (0.38)	RENHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL4539260	0.73	HTR1D (0.38)	RENHTR1DHTR1BMTNR1AMTNR1B

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-1911762-A1	Amino alcohols and their use as renin inhibitors	Speedel Experimenta AG (CH)	2008-04-16	—	—	EP	disclosed