SCHEMBL6589037

SCHEMBL6589037

Clc1cccc(C2=CCN(CCc3ccc4ccncc4c3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.44
HRH3 Q9Y5N1 1/20 0.37
DRD4 P21917 6/20 0.37
DRD2 P14416 5/20 0.37
HTR1A P08908 2/20 0.37
PARP1 P09874 1/20 0.37
SLC6A4 P31645 1/20 0.35
DRD3 P35462 3/20 0.35
CYP19A1 P11511 1/20 0.34
TBXAS1 P24557 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
SCHEMBL6586330 0.85 HTR1A (0.52) SIGMAR1HRH3DRD4DRD2HTR1A
SCHEMBL6592540 0.83 SIGMAR1 (0.58) SIGMAR1DRD4DRD2HTR1APARP1
SCHEMBL1138726 0.83 SIGMAR1 (0.47) SIGMAR1DRD4DRD2HTR1APARP1
SCHEMBL3453460 0.83 HRH3 (0.40) SIGMAR1HRH3DRD4DRD2HTR1A
SCHEMBL6589456 0.82 HTR1A (0.52) SIGMAR1HRH3DRD4DRD2HTR1A
SCHEMBL6589537 0.80 SIGMAR1 (0.51) SIGMAR1DRD4DRD2HTR1APARP1
SCHEMBL4587131 0.80 DRD4 (0.42) SIGMAR1HRH3DRD4DRD2HTR1A
SCHEMBL6437677 0.79 SIGMAR1 (0.52) SIGMAR1DRD4DRD2PARP1DRD3
Hydrochloric Acid SCHEMBL4588498 0.79 DRD4 (0.41) SIGMAR1HRH3DRD4DRD2HTR1A
Ssr-150106 SCHEMBL1385047 0.78 SIGMAR1 (0.48) SIGMAR1DRD4DRD2PARP1DRD3

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