SCHEMBL9546633

SCHEMBL9546633

CNC1CCN(C(=O)C(NC(=O)C(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.54
PSEN2 P49810 3/20 0.54
APH1B Q8WW43 3/20 0.54
NCSTN Q92542 3/20 0.54
APH1A Q96BI3 3/20 0.54
PSENEN Q9NZ42 3/20 0.54
APP P05067 1/20 0.54
KMT2A Q03164 2/20 0.52
REN P00797 4/20 0.51
KLK5 Q9Y337 2/20 0.50
MAPK1 P28482 1/20 0.49
BACE1 P56817 3/20 0.46
CMA1 P23946 1/20 0.45

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
SCHEMBL9546639 1.00 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546623 1.00 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546614 1.00 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546679 0.95 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546670 0.95 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546690 0.95 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546606 0.94 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546568 0.94 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546626 0.94 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9546616 0.94 PSEN1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed