SCHEMBL2904959

SCHEMBL2904959

O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(=O)N(CCN2CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 10/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL2904962 1.00 GPR183 (0.45) GPR183ALDH1A1LMNATP53L3MBTL1
SCHEMBL2898840 0.89 L3MBTL1 (0.53) GPR183ALDH1A1LMNATP53L3MBTL1
SCHEMBL2898842 0.89 L3MBTL1 (0.53) GPR183ALDH1A1LMNATP53L3MBTL1
SCHEMBL2902877 0.89 ALDH1A1 (0.60) GPR183ALDH1A1LMNATP53MEN1
SCHEMBL2902873 0.89 ALDH1A1 (0.60) GPR183ALDH1A1LMNATP53MEN1
SCHEMBL2904853 0.84 MEN1 (0.58) GPR183ALDH1A1LMNAKDM4EHPGD
SCHEMBL2904849 0.84 MEN1 (0.58) GPR183ALDH1A1LMNAKDM4EHPGD
SCHEMBL2905043 0.83 APP (0.47) GPR183ALDH1A1LMNATP53HRH3
SCHEMBL2905040 0.83 APP (0.47) GPR183ALDH1A1LMNATP53HRH3
SCHEMBL2905291 0.82 GAA (0.57) GPR183ALDH1A1LMNATP53L3MBTL1

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-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed