SCHEMBL7061009

SCHEMBL7061009

Cc1c(OC(=O)Nc2ccc(N3CCC(N4CCSCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PDE7A Q13946 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MCHR1 Q99705 5/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
NPY2R P49146 3/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL7054601 0.91 MCHR1 (0.43) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL7059443 0.89 PDE7A (0.45) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL7059080 0.88 MCHR1 (0.43) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL6052245 0.88 NPC1 (0.42) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL7058465 0.86 ALDH1A1 (0.43) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL7050099 0.85 ALDH1A1 (0.41) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL7054702 0.85 MAPT (0.39) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL6902620 0.85 MCHR1 (0.42) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL7060834 0.84 MAPT (0.39) HSD17B10MAPTMEN1ALDH1A1HPGD
SCHEMBL7053934 0.84 NR1H4 (0.40) HSD17B10MAPTMEN1ALDH1A1HPGD

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