SCHEMBL7146718

SCHEMBL7146718

CCN(CCO)CCCCOc1ccc2c(-c3ccc(N4CCN(CC=O)CC4)cc3)nsc2c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.65
DRD2 P14416 5/20 0.37
DRD3 P35462 1/20 0.37
HTR1A P08908 4/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL5038840 0.88 LSS (0.73) LSS
SCHEMBL5043189 0.87 LSS (0.67) LSS
SCHEMBL5039967 0.87 LSS (0.71) LSS
SCHEMBL5043724 0.86 LSS (0.70) LSS
SCHEMBL27515763 0.85 LSS (0.64) LSS
SCHEMBL5043374 0.80 LSS (0.82) LSS
SCHEMBL5038937 0.80 LSS (0.82) LSS
SCHEMBL5038608 0.80 LSS (0.82) LSS
SCHEMBL5040098 0.80 LSS (0.82) LSS
SCHEMBL5035436 0.80 LSS (1.00) LSS

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-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed