SCHEMBL7051428

SCHEMBL7051428

Cc1nn(-c2ccc(F)cc2)cc1OC(=O)Nc1ccc(N2CCN(CCO)CC2)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 1/20 0.40
DRD4 P21917 4/20 0.39
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTR2A P28223 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
DRD1 P21728 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
SCHEMBL6052213 0.86 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7055222 0.84 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7055402 0.84 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7058704 0.83 MAPT (0.39) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7057806 0.81 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7055974 0.80 DRD2 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6052307 0.79 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7062059 0.79 DRD4 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6052359 0.78 RXFP1 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7058149 0.78 XDH (0.47) AR

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed