SCHEMBL13768415

SCHEMBL13768415

COc1ccc2c(c1)C(C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CN2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
AR P10275 8/20 0.46
KCNH2 Q12809 6/20 0.46
ALOX15 P16050 1/20 0.46
BRD4 O60885 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
XBP1 P17861 1/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39

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
SCHEMBL13768523 0.84 AR (0.55) HTTTDP1ARKCNH2ALOX15
SCHEMBL13768702 0.80 DPP4 (0.44) HTTTDP1ARKCNH2ALOX15
SCHEMBL13768525 0.79 DPP4 (0.42) HTTTDP1ARKCNH2ALOX15
SCHEMBL2266153 0.75 DGAT1 (0.56) HTTTDP1ARKCNH2ALOX15
SCHEMBL2266490 0.74 MAPT (0.72) HTTTDP1ARKCNH2ALOX15
SCHEMBL2265872 0.73 AR (0.59) HTTTDP1ARKCNH2ALOX15
SCHEMBL2267284 0.72 HTT (0.53) HTTTDP1ARKCNH2ALOX15
SCHEMBL14411889 0.72 HTR1A (0.52) HTTL3MBTL1
SCHEMBL2266723 0.71 AR (0.77) HTTTDP1ARKCNH2ALOX15
SCHEMBL2266429 0.70 AR (0.65) HTTTDP1ARKCNH2ALOX15

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