SCHEMBL7213267

SCHEMBL7213267

C=CCN(C)CCCCCc1ccc2c(c1)C(S(=O)(=O)Nc1ccccc1)CN2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.34
SIGMAR1 Q99720 4/20 0.33
HTR6 P50406 1/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
BRD4 O60885 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
SCHEMBL7212185 0.85 LSS (0.46) LSS
SCHEMBL7212197 0.84 LSS (0.36) LSS
SCHEMBL7218503 0.78 LSS (0.45) LSSSIGMAR1
SCHEMBL7212204 0.78 LSS (0.39) LSS
SCHEMBL7218357 0.75 SPHK1 (0.35) LSS
SCHEMBL7217096 0.72 HDAC3 (0.35) LSSSIGMAR1
SCHEMBL5637220 0.71 ADRB2 (0.43) ADRB2ADRB1ADRB3
SCHEMBL7212171 0.71 LSS (0.47) LSS
SCHEMBL6988448 0.71 LSS (0.35) LSS
SCHEMBL7218476 0.71 LSS (0.41) 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