SCHEMBL6591102

SCHEMBL6591102

CCc1cc2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc2cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.50
PPARA Q07869 5/20 0.50
HTR7 P34969 2/20 0.42
SIGMAR1 Q99720 2/20 0.40
PARP1 P09874 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MET P08581 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
KCNA3 P22001 1/20 0.36

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
SCHEMBL6592542 0.89 PPARG (0.49) PPARGPPARAHTR7SIGMAR1PARP1
SCHEMBL6589155 0.88 PPARG (0.50) PPARGPPARAHTR7SIGMAR1PARP1
SCHEMBL5149448 0.86 PPARG (0.47) PPARGPPARAHTR7SIGMAR1PARP1
SCHEMBL6588999 0.85 PPARG (0.48) PPARGPPARAHTR7SIGMAR1PARP1
Xaliproden SCHEMBL137094 0.85 SIGMAR1 (0.51) PPARGPPARAHTR7SIGMAR1PARP1
Xaliproden SCHEMBL29377982 0.85 SIGMAR1 (0.51) PPARGPPARAHTR7SIGMAR1PARP1
SCHEMBL9366593 0.84 PPARG (0.51) PPARGPPARAHTR7SIGMAR1PARP1
Xaliproden SCHEMBL116721 0.84 SIGMAR1 (0.50) PPARGPPARAHTR7SIGMAR1PARP1
Xaliproden SCHEMBL29393004 0.84 SIGMAR1 (0.50) PPARGPPARAHTR7SIGMAR1PARP1
SCHEMBL6590514 0.84 SIGMAR1 (0.48) PPARGPPARAHTR7SIGMAR1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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