SCHEMBL12460742

SCHEMBL12460742

N#Cc1ccc(OCCCNCCCNCCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.56
DRD2 P14416 11/20 0.56
DRD3 P35462 11/20 0.56
MMP3 P08254 2/20 0.53
HRH3 Q9Y5N1 2/20 0.50
SCN8A Q9UQD0 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL1714696 0.98 DRD4 (0.58) DRD4DRD2DRD3MMP3HRH3
SCHEMBL1714981 0.93 HRH3 (0.54) DRD4DRD2DRD3MMP3HRH3
SCHEMBL1715002 0.92 MMP3 (0.55) DRD4DRD2DRD3MMP3HRH3
SCHEMBL12461737 0.90 DRD4 (0.50) DRD4DRD2DRD3MMP3HRH3
SCHEMBL8053774 0.90 DRD4 (0.73) DRD4DRD2DRD3
SCHEMBL9645057 0.90 MMP3 (0.51) DRD4DRD2DRD3MMP3HRH3
SCHEMBL16964732 0.87 DRD4 (0.51) DRD4DRD2DRD3MMP3HRH3
SCHEMBL12461513 0.87 SCN8A (0.64) DRD4DRD2DRD3MMP3SCN8A
Hydrochloric Acid SCHEMBL5007304 0.86 DRD4 (0.50) DRD4DRD2DRD3MMP3HRH3
SCHEMBL4500549 0.84 SMN1; SMN2 (0.54) DRD4DRD2DRD3MMP3HRH3

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-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed