SCHEMBL14213890

SCHEMBL14213890

CC1CC2CCCC(C(=O)CNc3ccc(-c4cc5ccc(NC(=O)C6CCCCC6C)cc5[nH]4)cc3)(C1)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ ITK Q08881 3/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ F10 P00742 1/20 0.31

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
SCHEMBL14213699 0.88 ALDH1A1 (0.39) CNR2
SCHEMBL14182809 0.86 CNR1 (0.36) CNR1CNR2ITKSLC2A1MAOA
SCHEMBL14213363 0.83 GRM4 (0.37) —
SCHEMBL14182811 0.81 CNR1 (0.41) CNR1CNR2ITKSLC2A1MAOA
SCHEMBL14213889 0.81 ITK (0.40) ITKSLC2A1MAOAMAOB
SCHEMBL14183011 0.80 ALDH1A1 (0.43) CNR1CNR2ITKSLC2A1
SCHEMBL14183010 0.79 ITK (0.45) CNR1CNR2ITKSLC2A1MAOA
SCHEMBL14182806 0.79 ITK (0.44) CNR1CNR2ITKSLC2A1MAOA
SCHEMBL14182807 0.79 ALDH1A1 (0.41) CNR2ITK
SCHEMBL14182786 0.78 ITK (0.47) ITKSLC2A1MAOAMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
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