SCHEMBL7149746

SCHEMBL7149746

O=CCN1CCN(CCCOc2ccc3c(-c4ccc(Br)cc4)nsc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.70
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR3A P46098 1/20 0.38

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
SCHEMBL7143431 0.97 LSS (0.75) LSSHRH2HRH1PDK1PDK2
SCHEMBL5043337 0.88 LSS (0.75) LSSHRH2HRH1RAB9A
SCHEMBL5039805 0.88 LSS (0.78) LSSHRH1ATML3MBTL1
SCHEMBL5045347 0.88 LSS (0.78) LSSSLC6A2SLC6A4ATML3MBTL1
SCHEMBL5039853 0.87 LSS (0.76) LSSHRH1ATML3MBTL1
SCHEMBL5045410 0.85 LSS (0.94) LSSHRH2HRH1
SCHEMBL5040053 0.85 LSS (0.80) LSSSLC6A2SLC6A4RAB9AATM
SCHEMBL5038906 0.85 LSS (0.83) LSSSLC6A2SLC6A4ATML3MBTL1
SCHEMBL5038468 0.85 LSS (0.83) LSSATML3MBTL1
SCHEMBL5039848 0.85 LSS (0.68) LSSHRH2HRH1PDK1PDK2

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