SCHEMBL5502020

SCHEMBL5502020

CCCCCCC1c2ccccc2Nc2cccc(N(CC)CC)c21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.37
EGFR P00533 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 3/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL5496349 0.89 HTR5A (0.38) HTR5AEGFRDRD2SLC6A2HTR2A
SCHEMBL5501909 0.78 GRM8 (0.43)
SCHEMBL5501013 0.77 HTR5A (0.36) HTR5AHTR2AHTR2CHTR7DDB1
SCHEMBL27589412 0.74 HTR5A (0.35) HTR5ADDB1CRBN
SCHEMBL10851169 0.73 IDO1 (0.62) DRD2HTR2AHTR2CHTR7
SCHEMBL3892963 0.72 ALDH1A1 (0.40)
SCHEMBL5814656 0.71 IDO1 (0.64) DRD2HTR2AHTR2CHTR7
SCHEMBL24631309 0.68 HTR5A (0.53) HTR5AEGFR
SCHEMBL16264954 0.66 IDO1 (0.66) DRD2HTR2AHTR2CHTR7
SCHEMBL167383 0.65 LIPG (0.44) DRD2SLC6A2HTR2AHTR2CSLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed