SCHEMBL13768702

SCHEMBL13768702

O=C(c1ccc2c(c1)C(C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CN2)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AR P10275 8/20 0.42
KCNH2 Q12809 6/20 0.42
BRD4 O60885 3/20 0.42
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
BCL9 O00512 2/20 0.37
CTNNB1 P35222 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1F P30939 1/20 0.37

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
SCHEMBL13768525 0.82 DPP4 (0.42) DPP4DPP9DPP7HTTTDP1
SCHEMBL13768523 0.81 AR (0.55) DPP4DPP9DPP7HTTTDP1
SCHEMBL13768415 0.80 HTT (0.47) DPP4DPP9DPP7HTTTDP1
SCHEMBL2268356 0.78 AR (0.43) DPP4DPP9DPP7HTTTDP1
SCHEMBL2266118 0.72 HTT (0.74) DPP4DPP9DPP7HTTTDP1
Trifluoroacetic Acid SCHEMBL3716290 0.71 HTT (0.63) DPP4DPP9DPP7HTTTDP1
Hydrochloric Acid SCHEMBL2264414 0.71 HTT (0.72) DPP4DPP9DPP7HTTTDP1
SCHEMBL2264015 0.70 AR (0.57) DPP4DPP9DPP7HTTTDP1
SCHEMBL2266838 0.70 AR (0.63) DPP4DPP9DPP7HTTTDP1
SCHEMBL18126731 0.70 MAPT (0.69) DPP4DPP9DPP7HTTTDP1

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