SCHEMBL7405000

CC[C@H](C)[C@H](NC(=O)[C@@H](C)N(C)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCC(C)C)C(=O)NC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	3/20	0.45

▸	CTSD	P07339	3/20	0.45

▸	PSEN1	P49768	16/20	0.43

▸	PSEN2	P49810	16/20	0.43

▸	APH1B	Q8WW43	16/20	0.43

▸	NCSTN	Q92542	16/20	0.43

▸	APH1A	Q96BI3	16/20	0.43

▸	PSENEN	Q9NZ42	16/20	0.43

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
SCHEMBL7400099	0.90	REN (0.49)	RENCTSDPSEN1PSEN2APH1B
SCHEMBL7402232	0.84	CTSD (0.46)	RENCTSDPSEN1PSEN2APH1B
SCHEMBL7394330	0.84	CTSD (0.49)	RENCTSDPSEN1PSEN2APH1B
SCHEMBL8605875	0.84	PSEN1 (0.56)	RENCTSDPSEN1PSEN2APH1B
SCHEMBL8664644	0.83	CTSD (0.48)	RENCTSDPSEN1PSEN2APH1B
SCHEMBL7403620	0.82	CTSD (0.47)	RENCTSDPSEN1PSEN2APH1B
SCHEMBL7396675	0.82	CTSD (0.47)	RENCTSDPSEN1PSEN2APH1B
SCHEMBL7403106	0.81	PSEN1 (0.41)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7399393	0.81	PSEN1 (0.41)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7401649	0.81	CTRB1 (0.48)	REN

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
US-5750648-A	HUMAN IMMUNODEFICIENCY VIRUS	G.D. SEARLE & CO. (US)	1998-05-12	—	—	US	claimed
WO-1995006061-A1	RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF	G.D. SEARLE & CO. (US)	1995-03-02	—	—	WO	claimed