SCHEMBL5884775

SCHEMBL5884775

C=CCON=Cc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)nn3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
DRD1 P21728 3/20 0.39
DRD3 P35462 3/20 0.39
DRD4 P21917 1/20 0.35
LTA4H P09960 2/20 0.35
DRD5 P21918 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 2/20 0.34
BRD4 O60885 2/20 0.34
KCNH2 Q12809 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HRH1 P35367 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
AOC3 Q16853 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
OGA O60502 1/20 0.33

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
SCHEMBL5884269 0.91 DRD2 (0.40) DRD2DRD1DRD3LTA4HDRD5
SCHEMBL5884173 0.90 KMT2A (0.43) DRD2DRD1DRD3DRD4LTA4H
SCHEMBL5884502 0.87 DRD2 (0.41) DRD2DRD1DRD3LTA4HDRD5
SCHEMBL5884891 0.86 DRD2 (0.39) DRD2DRD1DRD3DRD4LTA4H
SCHEMBL5883893 0.86 AXL (0.41) DRD2DRD1DRD3DRD4LTA4H
SCHEMBL5884681 0.82 DRD4 (0.43) DRD2DRD1DRD3DRD4LTA4H
SCHEMBL5884551 0.81 HRH3 (0.33) HRH3
SCHEMBL5884607 0.80 KMT2A (0.47) DRD2DRD1DRD3DRD4LTA4H
SCHEMBL5884929 0.79 DRD4 (0.33) DRD2DRD4HTR1AHTR2A
SCHEMBL5884360 0.77 MAPT (0.36) L3MBTL1ARKCNH2AOC3OGA

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed