SCHEMBL4631607

SCHEMBL4631607

COc1ccc(CN2C[C@@H](c3ccc(F)cc3)OCC2=O)cc1.O=C1CO[C@H](c2ccc(F)cc2)CN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HSD17B10 Q99714 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL2290280 0.96 MEN1 (0.48) MEN1KMT2ANPSR1LMNAHTT
SCHEMBL2298146 0.96 MEN1 (0.48) MEN1KMT2ANPSR1LMNAHTT
SCHEMBL25184925 0.90 HPGD (0.48) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL2293121 0.90 HPGD (0.48) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL2292500 0.90 HPGD (0.48) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL2292909 0.88 GRM2 (0.54) MEN1KMT2ANPSR1LMNATP53
SCHEMBL2294186 0.88 GRM2 (0.54) MEN1KMT2ANPSR1LMNATP53
SCHEMBL2290463 0.85 KMT2A (0.50) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL2293140 0.85 KMT2A (0.50) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL2298062 0.85 DRD4 (0.46) MEN1KMT2AALDH1A1POLBDRD4

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed