SCHEMBL7693364

SCHEMBL7693364

O=C(O)NC1C(=O)N(c2ccccc2)CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.50
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
HDAC8 Q9BY41 4/20 0.39
BCAT2 O15382 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL14169889 0.83 FNTA (0.46) XIAPFNTAFNTBPSEN1PSEN2
SCHEMBL4121598 0.76 ANPEP (0.45) XIAPFNTAFNTBBCAT2DDB1
SCHEMBL4122379 0.76 ANPEP (0.45) XIAPFNTAFNTBBCAT2DDB1
SCHEMBL4117065 0.76 ANPEP (0.45) XIAPFNTAFNTBBCAT2DDB1
SCHEMBL7696137 0.75 FNTA (0.51) XIAPFNTAFNTBPSEN1PSEN2
SCHEMBL25408370 0.71 SPPL2A (0.60) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL25407546 0.71 SPPL2A (0.60) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL8514563 0.71 FPR2 (0.64) FPR1FPR2HDAC8DDB1CRBN
SCHEMBL7694746 0.70 TSHR (0.47) XIAPHDAC8HTR2CSLC6A3HDAC1
SCHEMBL3495094 0.69 FPR2 (0.54) FPR1FPR2HDAC8HDAC1HDAC6

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-2002057258-A1 CYCLO`D!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREOF LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed