SCHEMBL7218370

SCHEMBL7218370

C=CCN(C)CC=CCOc1ccc2c(c1)C(C(=O)OC(C)(C)C)CN2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.46
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL6992807 0.86 LSS (0.46) LSSMEN1KMT2A
SCHEMBL6988448 0.77 LSS (0.35) LSSMEN1KMT2A
SCHEMBL7213385 0.76 THRA (0.40)
SCHEMBL7212195 0.75 LTA4H (0.34) LSS
SCHEMBL6991262 0.74 CREBBP (0.45)
SCHEMBL6991041 0.74 GPR119 (0.34)
SCHEMBL7212194 0.73 LSS (0.52) LSSMEN1KMT2A
SCHEMBL5637539 0.72 LSS (0.47) LSSMEN1LMNAMAPTKMT2A
SCHEMBL5637533 0.72 LSS (0.47) LSSMEN1LMNAMAPTKMT2A
SCHEMBL5637892 0.71 LSS (0.47) LSSMAPT

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