SCHEMBL9330189

SCHEMBL9330189

CCCNC#COc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALOX12 P18054 1/20 0.36
HTR1B P28222 3/20 0.36
HTR1D P28221 1/20 0.36
LTA4H P09960 3/20 0.35
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 2/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8029428 0.71 LTA4H (0.38) LTA4HTP53CA4
SCHEMBL10534542 0.70 CHRNB2 (0.39) LTA4HTP53CA4ALDH1A1NPSR1
SCHEMBL9421959 0.70 LTA4H (0.50) LTA4HTDP1RECQLCA4ALDH1A1
SCHEMBL6572639 0.68 LTA4H (0.42) MAPTLTA4HTDP1TP53CA4
SCHEMBL8975377 0.67 MTNR1A (0.42) MAPTTDP1ALDH1A1GAA
SCHEMBL237878 0.66 CA4 (0.43) HTR1BHTR1DLTA4HCA4
SCHEMBL1033246 0.66 HTR1B (0.42) MAPTALOX12HTR1BHTR1DLTA4H
SCHEMBL4709806 0.66 KCNH2 (0.44) LTA4HHTR1ASLC6A3DRD2DRD3
SCHEMBL31544590 0.66 KCNH2 (0.44) LTA4HHTR1ASLC6A3DRD2DRD3
SCHEMBL7085752 0.65 CA4 (0.48) MAPTLTA4HTDP1KMT2ACA4

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-0328251-B1 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation ICI PLC (GB) 1994-04-13 EP claimed