SCHEMBL6139563

SCHEMBL6139563

CC1(C)CCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
DRD4 P21917 4/20 0.39
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
HTR1D P28221 1/20 0.38
AKR1C3 P42330 1/20 0.36
HSD11B1 P28845 1/20 0.36
OPRL1 P41146 6/20 0.35
CHRM1 P11229 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 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 0.79 DRD2 (0.52) DRD2DRD3DRD4DRD1DRD5
SCHEMBL6139843 0.77 PPARG (0.46) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2253842 0.74 DGAT1 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2253838 0.74 DGAT1 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL5536891 0.74 DGAT1 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL19859319 0.74 DRD2 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7141341 0.72 SCN9A (0.47) DRD2DRD3DRD4DRD1DRD5
SCHEMBL19859161 0.72 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10214251 0.69 DRD2 (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2910645 0.69 SOS1 (0.51) DRD2DRD3DRD4HTR1DHSD11B1

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 4 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-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP disclosed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO disclosed