SCHEMBL7148900

SCHEMBL7148900

O=S1(=O)N=C(c2ccc(Cl)cc2)c2ccc(OCCCCC3CCN3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.42
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 4/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPY1R P25929 1/20 0.32
SLC2A1 P11166 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 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
SCHEMBL7142592 0.90 LSS (0.52) LSSSIGMAR1
SCHEMBL7142556 0.88 LSS (0.41) LSSHRH3
SCHEMBL7151209 0.87 ITGB3 (0.42) LSSNPY1R
SCHEMBL7146473 0.86 LSS (0.41) LSSNPY1R
SCHEMBL5038215 0.81 LSS (0.49) LSS
SCHEMBL5039980 0.80 HRH3 (0.54) HRH3
SCHEMBL5040046 0.80 HRH3 (0.51) HRH3
SCHEMBL5040208 0.79 HRH3 (0.56) HRH3
SCHEMBL5140610 0.79 SIGMAR1 (0.48) SIGMAR1HRH3HRH2HRH1
SCHEMBL5140118 0.78 LSS (0.54) 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