SCHEMBL5547655

SCHEMBL5547655

FC(F)(F)c1cc[c]c(NCC2CCCNC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
HTR2A P28223 1/20 0.39
ACP1 P24666 2/20 0.39
CHEK1 O14757 4/20 0.39
KCNH2 Q12809 2/20 0.39
SYK P43405 3/20 0.39
AURKB Q96GD4 3/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
IDH2 P48735 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MAP3K12 Q12852 1/20 0.35

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
SCHEMBL5547776 0.84 RXFP1 (0.45) RXFP1LIPCLIPG
SCHEMBL5547926 0.71 DRD2 (0.50) KCNH2LIPCLIPG
SCHEMBL5548725 0.69 CSNK1D (0.54)
SCHEMBL5547738 0.68 CSNK1D (0.56)
SCHEMBL13576641 0.67 EED (0.48) HTR2AKCNH2
SCHEMBL27644931 0.67 EED (0.48) HTR2AKCNH2
SCHEMBL21605932 0.67 KDM1A (0.44) ACP1CHEK1KCNH2SYKAURKB
SCHEMBL21605922 0.67 KDM1A (0.44) ACP1CHEK1KCNH2SYKAURKB
SCHEMBL3282830 0.67 SMN1; SMN2 (0.43)
SCHEMBL3282828 0.67 SMN1; SMN2 (0.43)

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-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed