SCHEMBL7218503

SCHEMBL7218503

C=CCN(C)CCCCCc1ccc2c(c1)C(C(=O)c1ccccc1)CN2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.45
SIGMAR1 Q99720 4/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL7212171 0.91 LSS (0.47) LSS
SCHEMBL7218476 0.91 LSS (0.41) LSS
SCHEMBL7218498 0.91 LSS (0.47) LSS
SCHEMBL7212204 0.90 LSS (0.39) LSS
SCHEMBL7213268 0.85 LSS (0.35) LSS
SCHEMBL7217117 0.84 LSS (0.58) LSS
SCHEMBL6988448 0.83 LSS (0.35) LSS
SCHEMBL7217096 0.81 HDAC3 (0.35) LSSSIGMAR1
SCHEMBL7218357 0.81 SPHK1 (0.35) LSSTHRATHRB
SCHEMBL7218501 0.81 LSS (0.45) LSSSIGMAR1THRATHRB

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-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO disclosed