SCHEMBL9546742

SCHEMBL9546742

CNC1CCN(C(=O)C(NC(=O)C(Cc2ccc(-c3ccncc3)cc2)CC(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.49
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
APP P05067 1/20 0.48
KMT2A Q03164 1/20 0.46
REN P00797 1/20 0.46
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL9546724 1.00 BACE1 (0.49) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546731 1.00 BACE1 (0.49) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546633 0.93 PSEN1 (0.54) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546623 0.93 PSEN1 (0.54) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546639 0.93 PSEN1 (0.54) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546614 0.93 PSEN1 (0.54) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546685 0.90 KMT2A (0.43) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546677 0.90 KMT2A (0.43) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546694 0.90 KMT2A (0.43) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL9546679 0.90 PSEN1 (0.49) BACE1PSEN1PSEN2APH1BNCSTN

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