SCHEMBL6608875

SCHEMBL6608875

Fc1cccc(C2=CCN(CCc3ccc4cccnc4c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
SIGMAR1 Q99720 3/20 0.46
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 5/20 0.41
HTR6 P50406 2/20 0.40
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6594692 0.92 PARP1 (0.50) PARP1SIGMAR1DRD4DRD2DRD3
SCHEMBL6597710 0.87 PPARG (0.47) PARP1SIGMAR1DRD4DRD2DRD3
SCHEMBL6587721 0.82 SIGMAR1 (0.51) PARP1SIGMAR1DRD4DRD2DRD3
SCHEMBL6589537 0.82 SIGMAR1 (0.51) PARP1SIGMAR1DRD4DRD2DRD3
SCHEMBL1138592 0.81 SIGMAR1 (0.49) PARP1SIGMAR1DRD4DRD2DRD3
SCHEMBL14277663 0.81 PARP1 (0.48) PARP1SIGMAR1HTR1ASLC6A3
SCHEMBL6602138 0.80 DRD4 (0.52) PARP1SIGMAR1DRD4DRD2DRD3
SCHEMBL6598869 0.80 PPARG (0.47) PARP1SIGMAR1DRD4DRD2DRD3
SCHEMBL14277638 0.80 PARP1 (0.47) PARP1SIGMAR1HTR1ASLC6A3
SCHEMBL14277641 0.79 PARP1 (0.48) PARP1SIGMAR1DRD2HTR1ASLC6A3

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