SCHEMBL6586330

SCHEMBL6586330

FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccncc4c3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.52
DRD2 P14416 8/20 0.52
DRD4 P21917 8/20 0.52
KCNH2 Q12809 2/20 0.47
SIGMAR1 Q99720 8/20 0.42
PARP1 P09874 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6589456 0.96 HTR1A (0.52) HTR1ADRD2DRD4KCNH2SIGMAR1
SCHEMBL6589037 0.85 SIGMAR1 (0.44) HTR1ADRD2DRD4SIGMAR1PARP1
SCHEMBL3453155 0.84 DRD4 (0.52) HTR1ADRD2DRD4KCNH2SIGMAR1
Ssr-150106 SCHEMBL1385047 0.83 SIGMAR1 (0.48) DRD2DRD4SIGMAR1PARP1
Ssr-150106 SCHEMBL29393331 0.83 SIGMAR1 (0.48) DRD2DRD4SIGMAR1PARP1
SCHEMBL6602138 0.83 DRD4 (0.52) HTR1ADRD2DRD4KCNH2SIGMAR1
SCHEMBL5149479 0.83 HTR1A (0.53) HTR1ADRD2DRD4KCNH2SIGMAR1
SCHEMBL6587088 0.82 SIGMAR1 (0.52) DRD2DRD4SIGMAR1PARP1
SCHEMBL6589317 0.82 SIGMAR1 (0.45) HTR1ADRD2DRD4SIGMAR1PARP1
SCHEMBL27476786 0.81 SIGMAR1 (0.39) DRD2DRD4KCNH2SIGMAR1PARP1

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 5 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
US-6509351-B1 A method of inhibiting TNF- alpha in a patient in need thereof which comprises administering to said patient an effective amount of a compound for inflamation SANOFI-SYNTELABO (FR) 2003-01-21 US 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