SCHEMBL584659

SCHEMBL584659

CN(C(=O)O)c1ccc(NCC2CCC(F)(F)CC2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.45
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
KDM4C Q9H3R0 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
PLEC Q15149 1/20 0.34
IL1B P01584 3/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
P2RX7 Q99572 5/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL27695223 0.91 PTGER4 (0.45) PTGER4LIPCLIPGKDM4EALDH1A1
SCHEMBL4230564 0.86 PTGER4 (0.48) PTGER4LIPCLIPGKDM4CKDM4E
SCHEMBL585072 0.84 PTGER4 (0.46) PTGER4LIPCLIPGKDM4CKDM4E
SCHEMBL584692 0.83 ALDH1A1 (0.44) PTGER4ALDH1A1MAPTHTT
SCHEMBL584693 0.83 ALDH1A1 (0.44) PTGER4ALDH1A1MAPTHTT
SCHEMBL4968421 0.80 NR1H3 (0.41) PTGER4ALDH1A1HPGDHTT
SCHEMBL3923613 0.78 PTGER4 (0.47) PTGER4LIPCLIPGKDM4CKDM4E
SCHEMBL4967122 0.78 PTGER4 (0.49) PTGER4LIPCLIPGKDM4CKDM4E
SCHEMBL3765728 0.77 PTGER4 (0.64) PTGER4KDM4EALDH1A1GAAMAPT
SCHEMBL584850 0.77 PTGER4 (0.46) PTGER4LIPCLIPGALDH1A1HDAC1

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
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed