SCHEMBL3663714

SCHEMBL3663714

Oc1ccccc1OC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 1/20 0.52
XBP1 P17861 1/20 0.52
AR P10275 7/20 0.51
KCNH2 Q12809 6/20 0.51
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SCD O00767 1/20 0.45
BRD4 O60885 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
DPP4 P27487 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL12368267 0.85 MAPT (0.65) MAPTHPGDHTTTDP1ALOX15
SCHEMBL2266578 0.83 HTT (0.58) MAPTHPGDHTTTDP1ALOX15
SCHEMBL2268407 0.82 HTT (0.54) MAPTHPGDHTTTDP1ALOX15
SCHEMBL12368284 0.81 MAPT (0.57) MAPTHPGDHTTTDP1ALOX15
SCHEMBL12368276 0.79 MAPT (0.60) MAPTHPGDHTTTDP1ALOX15
SCHEMBL12368277 0.79 MAPT (0.60) MAPTHPGDHTTTDP1ALOX15
SCHEMBL2266128 0.78 HTT (0.71) MAPTHPGDHTTTDP1ALOX15
SCHEMBL2267071 0.78 HTT (0.57) MAPTHPGDHTTTDP1ALOX15
SCHEMBL2265836 0.78 HTT (0.54) MAPTHPGDHTTTDP1ALOX15
SCHEMBL2264358 0.77 MAPT (0.55) MAPTHPGDHTTTDP1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed