SCHEMBL7939496

SCHEMBL7939496

N#Cc1ccc(Cc2cncc(CN(Cc3cccc(Cl)c3)[C@@H]3CCNC3=O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
FNTA P49354 12/20 0.42
FNTB P49356 12/20 0.42
PGGT1B P53609 6/20 0.41
KCNH2 Q12809 3/20 0.40
CYP3A4 P08684 1/20 0.39
KCNA5 P22460 1/20 0.38
NR3C1 P04150 1/20 0.37
MAPK1 P28482 1/20 0.35

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 1.00 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939467 0.87 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936786 0.74 DAO (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936802 0.74 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936806 0.74 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7939460 0.74 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937371 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937359 0.73 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927454 0.73 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7939518 0.73 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4

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