SCHEMBL7689613

SCHEMBL7689613

CCCCCCS(=O)(=O)[N]CCC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.48
CA2 P00918 6/20 0.43
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
CES1 P23141 5/20 0.36
CES2 O00748 2/20 0.36

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
SCHEMBL7694637 0.98 FAAH (0.44) FAAHCA2CES1CES2
SCHEMBL7688957 0.91 FAAH (0.48) FAAHCA2TSHRTHRBCES1
SCHEMBL10438602 0.91 FAAH (0.48) FAAHCA2TSHRTHRBCES1
SCHEMBL10438562 0.91 FAAH (0.48) FAAHCA2TSHRTHRBCES1
SCHEMBL7685650 0.91 FAAH (0.48) FAAHCA2TSHRTHRBCES1
SCHEMBL7694319 0.91 FAAH (0.48) FAAHCA2TSHRTHRBCES1
SCHEMBL7687765 0.91 FAAH (0.48) FAAHCA2TSHRTHRBCES1
SCHEMBL7685785 0.91 ALDH1A1 (0.39) FAAHCA2
SCHEMBL3294331 0.88 FAAH (0.44) FAAHCA2CES1CES2
SCHEMBL7688964 0.86 FAAH (0.43) FAAHCA2TSHRTHRB

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed