SCHEMBL7218486

SCHEMBL7218486

CCCCCN(C)CCCCCc1ccc2c(c1)CCN2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
KCNH2 Q12809 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL565857 0.92 DRD2 (0.45) DRD2DRD4SLC6A2HTR2AHTR2C
SCHEMBL27610237 0.90 DRD2 (0.46) THRBDRD2DRD4SLC6A2HTR2A
SCHEMBL11524478 0.86 DRD2 (0.47) THRBDRD2DRD4HTR2AHTR2C
SCHEMBL5639446 0.84 DRD2 (0.36) SIGMAR1DRD2DRD4
SCHEMBL20846119 0.80 SMN1; SMN2 (0.43) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL8529985 0.80 DRD2 (0.50) THRBDRD2DRD4HTR2AHTR2C
SCHEMBL27610259 0.79 SMN1; SMN2 (0.44) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL27091898 0.78 SLC6A2 (0.46) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL5535606 0.77 DRD2 (0.45) THRBDRD2DRD4HTR2AHTR2C
SCHEMBL5638061 0.77 KDM4E (0.41) SIGMAR1THRB

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