SCHEMBL13768296

SCHEMBL13768296

FC(F)(F)c1nnc2ccc(N3CC4CC[C@@H](C3)N4Cc3cccnc3)nn12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.55
KCNH2 Q12809 5/20 0.55
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 2/20 0.44
XBP1 P17861 1/20 0.44
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CHRNA7 P36544 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
SCHEMBL2264201 1.00 AR (0.55) ARKCNH2LMNAHTTTDP1
SCHEMBL12368428 0.89 MAPT (0.57) ARKCNH2LMNAHTTTDP1
SCHEMBL2267616 0.86 LMNA (0.54) ARKCNH2LMNAHTTTDP1
SCHEMBL2265188 0.82 AR (0.70) ARKCNH2LMNAHTTTDP1
SCHEMBL2264854 0.80 AR (0.52) ARKCNH2LMNAHTTTDP1
SCHEMBL2266631 0.80 AR (0.52) ARKCNH2LMNAHTTTDP1
SCHEMBL2264977 0.77 AR (0.55) ARKCNH2LMNAHTTTDP1
SCHEMBL2268411 0.77 LMNA (0.51) ARKCNH2LMNAHTTTDP1
SCHEMBL2263780 0.77 LMNA (0.51) ARKCNH2LMNAHTTTDP1
SCHEMBL2264615 0.76 LMNA (0.50) ARKCNH2LMNAHTTTDP1

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-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed