SCHEMBL7057633

SCHEMBL7057633

Cc1ccc(-n2ncc(OC(=O)Nc3ccc(N4CCN(CCO)CC4)c(C#N)c3)c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 6/20 0.42
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
P2RY12 Q9H244 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL7059077 0.94 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7056356 0.94 DRD4 (0.46) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7057735 0.94 MAPT (0.41) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7114435 0.92 AR (0.43) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7058704 0.91 MAPT (0.39) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7057696 0.91 MAPT (0.40) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7055974 0.89 DRD2 (0.42) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7061032 0.89 DRD4 (0.41) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7059390 0.87 MAPT (0.39) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL7062059 0.87 DRD4 (0.40) ALDH1A1KMT2AMEN1MAPTHPGD

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