SCHEMBL7479722

SCHEMBL7479722

CCN(CC)c1ccc(CN(CC(O)C(Cc2ccccc2)NC(=O)C(F)(F)F)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.46
PSEN2 P49810 11/20 0.46
APH1B Q8WW43 11/20 0.46
NCSTN Q92542 11/20 0.46
APH1A Q96BI3 11/20 0.46
PSENEN Q9NZ42 11/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
SLCO2B1 O94956 1/20 0.46
ABCB11 O95342 1/20 0.46
ABCB1 P08183 1/20 0.46
UGT1A1 P22309 1/20 0.46
CCKAR P32238 1/20 0.46
OPRK1 P41145 1/20 0.46
GHSR Q92847 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
KLK5 Q9Y337 2/20 0.43
MEN1 O00255 1/20 0.41

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
SCHEMBL7479726 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443277 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443284 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7548073 0.89 MLNR (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7486762 0.86 MLNR (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7486764 0.86 MLNR (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7492736 0.85 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7494009 0.85 UGT1A1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7492730 0.85 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7493285 0.84 PSEN1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451973-B1 HUMAN IMMUNODEFICIENCY VIRUS (HIV) PROTEASE INHIBITORS NOVATIS AG (CH) 2002-09-17 US disclosed
EP-0915841-B1 ANILINOPEPTIDE DERIVATIVES NOVARTIS AG (CH) 2002-02-27 EP disclosed
EP-0915841-A1 ANILINOPEPTIDE DERIVATIVES Novartis AG (CH) 1999-05-19 EP disclosed
WO-1998003476-A1 ANILINOPEPTIDE DERIVATIVES NOVARTIS AG (CH) 1998-01-29 WO disclosed