SCHEMBL5884590

SCHEMBL5884590

CCON=Cc1ccc(OCCCC2CCCN(c3ccc(C(F)(F)F)nn3)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.32
GPR119 Q8TDV5 2/20 0.32
IDH1 O75874 2/20 0.32
SLC6A9 P48067 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAP4K4 O95819 1/20 0.31
CXCR3 P49682 1/20 0.31
PTGES O14684 1/20 0.31
PTPN11 Q06124 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
SCHEMBL5884551 0.92 HRH3 (0.33) HRH3HPGDIDH1PTGES
SCHEMBL5884176 0.92 HRH3 (0.37) HRH3MAPTHPGDKMT2AGPR119
SCHEMBL5884636 0.91 DRD4 (0.34) KCNH2KMT2ASLC6A9MAP4K4CXCR3
SCHEMBL5884946 0.90 MEN1 (0.33) KMT2AIDH1SLC6A9PTPN11
SCHEMBL5884760 0.87 KCNH2 (0.36) KCNH2HRH3MAPTHPGDKMT2A
SCHEMBL5884360 0.86 MAPT (0.36) KCNH2MAPTKMT2AGPR119CXCR3
SCHEMBL5884868 0.83 KCNH2 (0.36) KCNH2MAPTKMT2ANPSR1MAP4K4
SCHEMBL5884909 0.83 GAA (0.31)
SCHEMBL5884443 0.83 MAP4K4 (0.36) MAPTKMT2ASLC6A9MAP4K4CXCR3
SCHEMBL5884929 0.82 DRD4 (0.33) MAP4K4

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