SCHEMBL7212241

SCHEMBL7212241

CCCCCN(C)CCCCCOc1ccc2c(c1)CCCN2S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
MAPT P10636 2/20 0.44
MAOB P27338 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRA P10827 4/20 0.41
THRB P10828 4/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7212202 0.88 HRH3 (0.47) HRH3MAPTMAOBMEN1KMT2A
SCHEMBL5637830 0.87 LSS (0.48) HRH3MEN1KMT2A
SCHEMBL5635676 0.87 LSS (0.48) HRH3MEN1KMT2A
SCHEMBL5636080 0.86 LSS (0.47) HRH3MEN1KMT2A
SCHEMBL5638059 0.79 LSS (0.48) MEN1KMT2A
SCHEMBL7213286 0.78 MAPT (0.45) HRH3MAPTMAOBTP53ALDH1A1
SCHEMBL5639195 0.78 LSS (0.43) HRH3MEN1KMT2A
SCHEMBL7218398 0.75 MAPT (0.46) HRH3MAPTMEN1KMT2ATP53
SCHEMBL5638718 0.75 MEN1 (0.59) HRH3MAPTMEN1KMT2ATP53
SCHEMBL5639178 0.75 LSS (0.46) MAPTMEN1KMT2A

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