SCHEMBL5884636

SCHEMBL5884636

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.34
DRD2 P14416 6/20 0.34
MAP4K4 O95819 1/20 0.34
NR1I2 O75469 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A9 P48067 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CXCR3 P49682 1/20 0.32
FFAR1 O14842 1/20 0.32
PTPN11 Q06124 1/20 0.32
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL5884443 0.92 MAP4K4 (0.36) DRD4DRD2MAP4K4NR1I2KMT2A
SCHEMBL5884929 0.91 DRD4 (0.33) DRD4DRD2MAP4K4NR1I2RBP4
SCHEMBL5884590 0.91 KCNH2 (0.35) MAP4K4KMT2AKCNH2SLC6A9CXCR3
SCHEMBL5884232 0.90 FFAR1 (0.38) DRD4DRD2MAP4K4RBP4TTR
SCHEMBL5884463 0.86 CYP1A2 (0.37) DRD4DRD2MAP4K4NR1I2KMT2A
SCHEMBL5884176 0.83 HRH3 (0.37) MAP4K4KMT2ASLC6A9PTGS1PTGS2
SCHEMBL5884360 0.83 MAPT (0.36) KMT2AKCNH2CXCR3
SCHEMBL5884551 0.82 HRH3 (0.33)
SCHEMBL5884870 0.82 FFAR1 (0.36) DRD4DRD2MAP4K4RBP4TTR
SCHEMBL5884768 0.82 FFAR1 (0.39) DRD4DRD2MAP4K4RBP4TTR

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