SCHEMBL7166235

SCHEMBL7166235

CCCCCN(C)C1(C#Cc2ccc3c(-c4ccc(C(F)(F)F)cc4)nsc3c2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.43
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL5045453 0.85 LSS (0.40) LSSSLC6A2SLC6A4SLC6A3
SCHEMBL5045275 0.83 LSS (0.51) LSSSLC6A2SLC6A4SLC6A3
SCHEMBL7168583 0.81 LSS (0.53) LSS
SCHEMBL7176452 0.81 LSS (0.56) LSS
SCHEMBL7167049 0.80 LSS (0.56) LSSSLC6A4
SCHEMBL7164733 0.80 LSS (0.51) LSSSLC6A4
SCHEMBL5040354 0.75 LSS (0.58) LSS
SCHEMBL5035559 0.74 LSS (0.58) LSSSLC6A4
SCHEMBL5038562 0.74 LSS (0.55) LSSSLC6A4
SCHEMBL7151986 0.73 LSS (0.47) 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