SCHEMBL7212207

SCHEMBL7212207

CCCCCN(C)CCCCOc1ccc2c(c1)C(S(=O)(=O)O)CN2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.41
THRB P10828 8/20 0.41
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7218367 0.87 LSS (0.46)
SCHEMBL7213385 0.78 THRA (0.40) THRATHRBMAOAMAOBHTR2A
SCHEMBL7218490 0.71 LSS (0.40)
SCHEMBL7212197 0.69 LSS (0.36)
SCHEMBL7212194 0.69 LSS (0.52)
SCHEMBL7212195 0.69 LTA4H (0.34) MAOAMAOBPDE3BPDE3A
SCHEMBL7162166 0.69 THRA (0.47) THRATHRBLMNA
SCHEMBL7166192 0.68 THRA (0.49) THRATHRBMAOBLMNA
SCHEMBL7212241 0.67 HRH3 (0.48) THRATHRBMAOBLMNA
SCHEMBL7162165 0.66 LTA4H (0.49) LMNA

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-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO disclosed