SCHEMBL5547776

SCHEMBL5547776

FC(F)(F)c1cc[c]c(NCC2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
LIPC P11150 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
CSNK1D P48730 1/20 0.39
PTGS2 P35354 3/20 0.38
MLYCD O95822 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
IDH1 O75874 1/20 0.35
PIM1 P11309 1/20 0.35
GAA P10253 1/20 0.34
CRHR1 P34998 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5547655 0.84 PTPN11 (0.39) RXFP1LIPCLIPG
SCHEMBL5547738 0.80 CSNK1D (0.56) CSNK1DEPHX2MEN1KMT2A
SCHEMBL5547926 0.79 DRD2 (0.50) LIPCLIPG
SCHEMBL16319711 0.79 NPC1 (0.41) OPRK1GAAEPHX2MEN1KMT2A
SCHEMBL5548725 0.78 CSNK1D (0.54) CSNK1DEPHX2MEN1KMT2A
SCHEMBL16319993 0.75 TSHR (0.43) MEN1KMT2AGRM4
SCHEMBL5547801 0.73 MEN1 (0.53) RXFP1EPHX2MEN1KMT2A
SCHEMBL16319407 0.73 OPRM1 (0.42) HDAC6HDAC3HDAC4HDAC1MLYCD
SCHEMBL1241128 0.73 RXFP1 (0.61) RXFP1LIPCLIPGPIM1GAA
SCHEMBL30288262 0.73 RXFP1 (0.61) RXFP1LIPCLIPGPIM1GAA

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