SCHEMBL7148529

SCHEMBL7148529

CC(C)(C#Cc1ccc2c(-c3ccc(Br)cc3)nsc2c1)CCNCCO

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.64
CYP1A2 P05177 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL5038567 0.82 LSS (0.69) LSS
SCHEMBL5035575 0.78 LSS (1.00) LSS
SCHEMBL5045533 0.77 LSS (0.69) LSS
SCHEMBL5045294 0.76 LSS (0.70) LSS
SCHEMBL5035538 0.74 LSS (0.74) LSS
SCHEMBL5040054 0.72 LSS (0.78) LSS
SCHEMBL5038683 0.72 LSS (0.58) LSS
SCHEMBL5038817 0.72 LSS (0.64) LSS
SCHEMBL5038384 0.71 LSS (0.72) LSS
SCHEMBL5038681 0.71 LSS (0.66) 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 claimed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO claimed