SCHEMBL6139843

SCHEMBL6139843

CC1(C)CCC(c2ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.46
PPARA Q07869 8/20 0.46
DRD2 P14416 4/20 0.45
DRD1 P21728 4/20 0.45
DRD4 P21917 4/20 0.45
DRD5 P21918 4/20 0.45
DRD3 P35462 4/20 0.45
PPARD Q03181 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
SCN9A Q15858 1/20 0.36
APP P05067 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL7143580 0.80 DRD2 (0.52) PPARGPPARADRD2DRD1DRD4
SCHEMBL6139563 0.77 DRD2 (0.39) PPARGPPARADRD2DRD1DRD4
SCHEMBL27825202 0.72 EPAS1 (0.43) HSD11B1
SCHEMBL14660472 0.72 DRD2 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3657435 0.71 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3657437 0.71 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL31204254 0.71 CA1 (0.46) PPARGDRD2DRD1DRD4DRD5
SCHEMBL1411728 0.71 CA1 (0.46) PPARGDRD2DRD1DRD4DRD5
SCHEMBL1411551 0.71 PTGS1 (0.46) MRGPRX4CYP2C9
SCHEMBL19103501 0.69 DRD3 (0.54) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196403-B1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
US-6908914-B1 Antipsychotic cyclic N-aralkylamines SANOFI-SYNTHELABO (FR) 2005-06-21 US disclosed
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US disclosed
EP-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP disclosed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP disclosed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO disclosed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 WO disclosed