SCHEMBL7218357

SCHEMBL7218357

C=CCN(C)CCCCCc1ccc2c(c1)C(C(=O)Nc1ccc(C)cc1)CN2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.35
THRB P10828 3/20 0.34
THRA P10827 2/20 0.34
HSD17B10 Q99714 1/20 0.33
ACKR3 P25106 1/20 0.32
LSS P48449 9/20 0.32

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
SCHEMBL7218350 0.85 LSS (0.43) LSS
SCHEMBL7212204 0.84 LSS (0.39) LSS
SCHEMBL7217096 0.83 HDAC3 (0.35) HSD17B10LSS
SCHEMBL7218354 0.82 HDAC8 (0.35) SPHK1THRBTHRALSS
SCHEMBL7218503 0.81 LSS (0.45) THRBTHRALSS
SCHEMBL7218476 0.80 LSS (0.41) LSS
SCHEMBL6988448 0.80 LSS (0.35) LSS
SCHEMBL7218498 0.80 LSS (0.47) LSS
SCHEMBL7212171 0.80 LSS (0.47) LSS
SCHEMBL7212197 0.78 LSS (0.36) 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-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