SCHEMBL7055402

SCHEMBL7055402

N#Cc1cc(NC(=O)Oc2cnn(-c3ccc(F)cc3)c2)ccc1N1CCN(CCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 3/20 0.42
USP2 O75604 1/20 0.42
RXFP1 Q9HBX9 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
AR P10275 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 3/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL6052359 0.86 RXFP1 (0.48) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7057806 0.85 ALDH1A1 (0.43) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7051428 0.84 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7058704 0.80 MAPT (0.39) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7055222 0.79 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7055974 0.78 DRD2 (0.42) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL6052213 0.78 ALDH1A1 (0.45) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7062059 0.77 DRD4 (0.40) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL6052277 0.76 NPC1 (0.47) MEN1ALDH1A1KMT2AMAPTHPGD
SCHEMBL7057633 0.76 ALDH1A1 (0.42) MEN1ALDH1A1KMT2AMAPTHPGD

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