SCHEMBL6178480

SCHEMBL6178480

N#Cc1c(C(F)(F)F)cc(C2CC2)nc1OCCN1CCN(C2=COC(C3=CC=CCC3)=CO2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.33
KHK P50053 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL6175964 0.79 KDM4E (0.36) HPGDKDM4ELMNATSHR
SCHEMBL4874738 0.75 MEN1 (0.46) MEN1KMT2AL3MBTL1HPGDKDM4E
SCHEMBL7127097 0.75 DRD2 (0.43) ALDH1A1
SCHEMBL7128107 0.70 CYP3A4 (0.39) MEN1KMT2A
SCHEMBL4874362 0.70 KDM4E (0.44) MEN1KMT2ATDP1L3MBTL1HPGD
SCHEMBL4873844 0.70 ALDH1A1 (0.38) MEN1KMT2ATDP1L3MBTL1HPGD
SCHEMBL4878132 0.70 ALDH1A1 (0.34) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL7124328 0.69 DRD2 (0.47)
SCHEMBL7125210 0.69 HRH3 (0.32)
SCHEMBL7118543 0.69 HRH3 (0.34) ALDH1A1

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-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP claimed