SCHEMBL8899535

SCHEMBL8899535

CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)C(N)CC(N)=O)C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.46
PSEN2 P49810 12/20 0.46
APH1B Q8WW43 12/20 0.46
NCSTN Q92542 12/20 0.46
APH1A Q96BI3 12/20 0.46
PSENEN Q9NZ42 12/20 0.46
BACE1 P56817 2/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
BCHE P06276 1/20 0.40
APP P05067 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5401860 0.85 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9127180 0.85 BACE1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5401504 0.85 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7362254 0.84 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
Telinavir SCHEMBL6361258 0.81 CYP3A4 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
Telinavir SCHEMBL623164 0.81 CYP3A4 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
Telinavir SCHEMBL2773923 0.81 CYP3A4 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
Telinavir SCHEMBL402508 0.81 CYP3A4 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
Telinavir SCHEMBL31107105 0.81 CYP3A4 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
Telinavir SCHEMBL29450575 0.81 CYP3A4 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614522-A SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS G.D. SEARLE & CO. (US) 1997-03-25 US disclosed
US-5475027-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1995-12-12 US disclosed