SCHEMBL6988448

SCHEMBL6988448

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 19/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7218505 0.88 THRA (0.37)
SCHEMBL7212204 0.87 LSS (0.39) LSSMEN1KMT2A
SCHEMBL6992807 0.85 LSS (0.46) LSSMEN1KMT2A
SCHEMBL7218466 0.84 LSS (0.41) LSSMEN1KMT2A
SCHEMBL7218503 0.83 LSS (0.45) LSS
SCHEMBL6993576 0.82 CYP4A11 (0.35)
SCHEMBL7218498 0.82 LSS (0.47) LSSMEN1KMT2A
SCHEMBL7212171 0.82 LSS (0.47) LSSMEN1KMT2A
SCHEMBL7218476 0.82 LSS (0.41) LSSMEN1KMT2A
SCHEMBL7218485 0.81 LSS (0.36) LSSMEN1KMT2A

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 4 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
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 WO disclosed