SCHEMBL6602138

SCHEMBL6602138

FC(F)(F)c1cccc(C2=CCN(CCc3ccc4cccnc4c3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.52
DRD2 P14416 8/20 0.52
HTR1A P08908 7/20 0.52
KCNH2 Q12809 3/20 0.47
SIGMAR1 Q99720 3/20 0.42
HTR6 P50406 3/20 0.41
TGFBR1 P36897 1/20 0.37
DRD3 P35462 2/20 0.36
MET P08581 1/20 0.35
PARP1 P09874 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL5149479 0.90 HTR1A (0.53) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL6589456 0.83 HTR1A (0.52) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL6597710 0.83 PPARG (0.47) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL1138642 0.83 DRD4 (0.52) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL6586330 0.83 HTR1A (0.52) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL3453155 0.82 DRD4 (0.52) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL27477227 0.82 DRD2 (0.40) DRD4DRD2KCNH2SIGMAR1HTR6
SCHEMBL6608875 0.80 PARP1 (0.50) DRD4DRD2HTR1ASIGMAR1HTR6
SCHEMBL21662053 0.76 DRD4 (0.64) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL6598869 0.76 PPARG (0.47) DRD4DRD2KCNH2SIGMAR1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226137-B8 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
EP-1226137-B1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI SYNTHELABO (FR) 2004-07-21 EP disclosed
EP-1226137-A1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI-SYNTHELABO (FR) 2002-07-31 EP disclosed
WO-2001029026-A1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI-SYNTHELABO (FR) 2001-04-26 WO disclosed