SCHEMBL6594692

SCHEMBL6594692

Fc1cccc(C2=CCN(CCc3ccc4ncccc4c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.50
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MET P08581 2/20 0.42
CHKA P35790 1/20 0.41
HTR1A P08908 3/20 0.41

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
SCHEMBL6608875 0.92 PARP1 (0.50) PARP1SIGMAR1DRD2DRD4DRD3
SCHEMBL6598869 0.87 PPARG (0.47) PARP1KCNH2HRH3SIGMAR1DRD2
SCHEMBL6587721 0.82 SIGMAR1 (0.51) PARP1KCNH2SIGMAR1DRD2DRD4
SCHEMBL6589537 0.82 SIGMAR1 (0.51) PARP1SIGMAR1DRD2DRD4DRD3
SCHEMBL1138592 0.81 SIGMAR1 (0.49) PARP1SIGMAR1DRD2DRD4DRD3
SCHEMBL14277663 0.81 PARP1 (0.48) PARP1KCNH2HRH3SIGMAR1HTR1A
SCHEMBL6597710 0.80 PPARG (0.47) PARP1KCNH2SIGMAR1DRD2DRD4
SCHEMBL14277638 0.80 PARP1 (0.47) PARP1KCNH2HRH3SIGMAR1HTR1A
SCHEMBL14277641 0.79 PARP1 (0.48) PARP1SIGMAR1DRD2HTR1A
SCHEMBL14277640 0.78 PARP1 (0.47) PARP1SIGMAR1HTR1A

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 6 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
CN-1158276-C Phenyl-and pyridyl-tetrahydropyridines with TNF inhibiting activity ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-07-21 CN 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