SCHEMBL5884929

SCHEMBL5884929

C=CCON=Cc1ccc(OCC2CCCN(c3ccc(C(F)(F)F)nn3)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.33
DRD2 P14416 7/20 0.33
MAP4K4 O95819 1/20 0.32
NR1I2 O75469 1/20 0.31
BTK Q06187 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
RBP4 P02753 1/20 0.30
TTR P02766 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL5884636 0.91 DRD4 (0.34) DRD4DRD2MAP4K4NR1I2HTR1A
SCHEMBL5884551 0.91 HRH3 (0.33)
SCHEMBL5884870 0.90 FFAR1 (0.36) DRD4DRD2MAP4K4BTKRBP4
SCHEMBL5884443 0.89 MAP4K4 (0.36) DRD4DRD2MAP4K4NR1I2HTR1A
SCHEMBL5884903 0.87 CHRNB2 (0.36) DRD4DRD2MAP4K4NR1I2BTK
SCHEMBL5884590 0.82 KCNH2 (0.35) MAP4K4
SCHEMBL5884909 0.82 GAA (0.31)
SCHEMBL5884232 0.82 FFAR1 (0.38) DRD4DRD2MAP4K4RBP4TTR
SCHEMBL5884176 0.80 HRH3 (0.37) MAP4K4PTGS1PTGS2
SCHEMBL5884775 0.79 DRD2 (0.39) DRD4DRD2HTR1AHTR2A

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