SCHEMBL7939467

SCHEMBL7939467

N#Cc1ccccc1Cc1cncc(CN(Cc2cccc(Cl)c2)C2CCNC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
NOS2 P35228 8/20 0.36
NOS3 P29474 7/20 0.36
NOS1 P29475 7/20 0.36
FNTA P49354 6/20 0.35
FNTB P49356 6/20 0.35
PGGT1B P53609 3/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.34
PGR P06401 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL7939493 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939496 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939460 0.85 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937359 0.83 FNTA (0.51) FNTAFNTBPGGT1BKCNH2
SCHEMBL7933826 0.77 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933816 0.76 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936751 0.76 FNTA (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7927499 0.76 NR3C1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937452 0.75 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7927511 0.75 FNTA (0.45) FNTAFNTBPGGT1BKCNH2

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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed