SCHEMBL7936713

SCHEMBL7936713

N#Cc1ccc(Cc2ncc(CN(C3CCNC3=O)C(c3cccc(O)c3)c3cccc(Cl)c3)[nH]2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
S1PR3 Q99500 2/20 0.32
S1PR1 P21453 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
TRPV4 Q9HBA0 2/20 0.31
BRS3 P32247 2/20 0.31
MAPK1 P28482 1/20 0.31
EP300 Q09472 3/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL7713189 0.94 EP300 (0.34) DAOGPR52BRS3EP300
SCHEMBL7936786 0.82 DAO (0.38) DAOGPR52PSEN1PSEN2APH1B
SCHEMBL7933752 0.73 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937436 0.73 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933783 0.71 FNTA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939460 0.70 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933816 0.68 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7715094 0.68 PSEN1 (0.33) DAOPSEN1PSEN2APH1BNCSTN
SCHEMBL7927439 0.67 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937371 0.67 PSEN1 (0.47) DAOPSEN1PSEN2APH1BNCSTN

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