SCHEMBL8679186

SCHEMBL8679186

N#Cc1cccn(CCc2ccccc2OCc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ABCB1 P08183 3/20 0.42
MGLL Q99685 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41

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
SCHEMBL8676539 0.87 PTGER1 (0.44) GRM2PTGER1MAPK14
SCHEMBL8678183 0.80 PTGER1 (0.50) HTR1ADRD2HDAC3HDAC4HDAC1
SCHEMBL20382955 0.75 GRM2 (0.51) GRM2HDAC6MAPK14
SCHEMBL9356514 0.75 MAOB (0.51) MAPK14FFAR1FNTAFNTBPGGT1B
SCHEMBL8675704 0.74 HDAC3 (0.44) GRM2HTR1ADRD2HDAC3HDAC4
SCHEMBL8675861 0.73 HTR1A (0.41) GRM2HTR1ADRD2HDAC3HDAC4
SCHEMBL9356553 0.72 ALDH1A1 (0.50) MAPK14
SCHEMBL448079 0.72 MAOB (0.57) HTR1ADRD2MAPK14SGMS2FNTA
SCHEMBL4383558 0.71 MAPK14 (0.70) GRM2MAPK14FNTAFNTBPGGT1B
SCHEMBL20382942 0.71 MAPK14 (0.52) GRM2MAPK14

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
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed