SCHEMBL3711734

SCHEMBL3711734

CC(C)(C)N1CCN(CCCOc2ccc(N3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.56
KCNH2 Q12809 2/20 0.51
HRH3 Q9Y5N1 11/20 0.45
DRD2 P14416 6/20 0.45
DRD3 P35462 6/20 0.45
HTR1A P08908 5/20 0.45
HTR2A P28223 5/20 0.45
DRD1 P21728 2/20 0.45
DRD5 P21918 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 6/20 0.42
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
HRH2 P25021 3/20 0.41

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
SCHEMBL3077069 0.88 AR (0.53) ARKCNH2HRH3DRD2DRD3
SCHEMBL3071316 0.87 AR (0.56) ARKCNH2HRH3DRD2DRD3
SCHEMBL3061952 0.87 AR (0.73) ARKCNH2HRH3DRD2DRD3
SCHEMBL3075158 0.87 AR (0.61) ARKCNH2HRH3DRD2DRD3
SCHEMBL3081238 0.84 AR (0.60) ARKCNH2HRH3DRD2DRD3
SCHEMBL3056879 0.83 AR (0.58) ARKCNH2HRH3DRD2DRD3
SCHEMBL3069850 0.83 AR (0.79) ARKCNH2HRH3DRD2DRD3
SCHEMBL3080345 0.83 AR (0.60) ARKCNH2HRH3DRD2DRD3
SCHEMBL3071239 0.82 AR (0.67) ARKCNH2
SCHEMBL3071506 0.81 AR (0.64) ARKCNH2HRH3DRD3HTR1A

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-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO disclosed