SCHEMBL9546564

SCHEMBL9546564

CNC1CCN(C(=O)[C@@H](NC(=O)[C@@H](CC=Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
REN P00797 7/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
APP P05067 1/20 0.45
KLK5 Q9Y337 2/20 0.45
MAPK1 P28482 1/20 0.44
BACE1 P56817 2/20 0.42

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
SCHEMBL9546575 1.00 KMT2A (0.47) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546582 1.00 KMT2A (0.47) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546556 0.94 KMT2A (0.48) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546546 0.94 KMT2A (0.48) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546561 0.94 KMT2A (0.48) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546663 0.93 KMT2A (0.46) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546623 0.91 PSEN1 (0.54) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546614 0.91 PSEN1 (0.54) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546639 0.91 PSEN1 (0.54) KMT2ARENPSEN1PSEN2APH1B
SCHEMBL9546633 0.91 PSEN1 (0.54) KMT2ARENPSEN1PSEN2APH1B

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