SCHEMBL6589155

SCHEMBL6589155

COc1cc2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
HTR7 P34969 2/20 0.42
PARP1 P09874 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
DYRK3 O43781 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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) PPARGPPARAHTR7PARP1SIGMAR1
SCHEMBL9366389 0.88 PPARG (0.53) PPARGPPARAHTR7PARP1SIGMAR1
SCHEMBL6591102 0.88 PPARG (0.50) PPARGPPARAHTR7PARP1SIGMAR1
SCHEMBL4588155 0.87 PPARG (0.51) PPARGPPARAHTR7PARP1SIGMAR1
Hydrochloric Acid SCHEMBL8742253 0.87 PPARG (0.53) PPARGPPARAHTR7PARP1SIGMAR1
Hydrochloric Acid SCHEMBL8742634 0.86 PPARG (0.50) PPARGPPARAHTR7PARP1SIGMAR1
SCHEMBL5149448 0.86 PPARG (0.47) PPARGPPARAHTR7PARP1SIGMAR1
Xaliproden SCHEMBL137094 0.85 SIGMAR1 (0.51) PPARGPPARAHTR7PARP1SIGMAR1
Xaliproden SCHEMBL29377982 0.85 SIGMAR1 (0.51) PPARGPPARAHTR7PARP1SIGMAR1
SCHEMBL9366593 0.84 PPARG (0.51) PPARGPPARAHTR7PARP1SIGMAR1

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