SCHEMBL7218501

SCHEMBL7218501

C=CCN(C)CCCCCc1ccc2c(c1)CC(C(=O)c1ccccc1)N2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.45
SIGMAR1 Q99720 3/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
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
SCHEMBL7218497 0.91 LSS (0.47) LSS
SCHEMBL7218473 0.91 LSS (0.41) LSS
SCHEMBL7212168 0.91 LSS (0.47) LSS
SCHEMBL7218488 0.89 GAA (0.40) LSSGAAMAPT
SCHEMBL7217084 0.86 LSS (0.36) LSS
SCHEMBL7217087 0.85 LSS (0.35) LSSSIGMAR1
SCHEMBL7218485 0.83 LSS (0.36) LSS
SCHEMBL7213266 0.83 LSS (0.35) LSS
SCHEMBL7218503 0.81 LSS (0.45) LSSSIGMAR1THRATHRB
SCHEMBL7217093 0.81 SIGMAR1 (0.38) LSSSIGMAR1GAAMAPT

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