SCHEMBL8284792

SCHEMBL8284792

CC(=O)NCCc1c(C)cccc1OCCO

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.49
MTNR1B P49286 8/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8284011 0.79 MTNR1A (0.68) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL3083644 0.75 KDM4E (0.49) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL16063125 0.75 MTNR1A (0.71) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8284026 0.73 MTNR1A (0.51) MTNR1AMTNR1BKDM4E
SCHEMBL8284023 0.72 MTNR1B (0.51) MTNR1AMTNR1B
SCHEMBL8284021 0.72 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL29676259 0.70 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL19668664 0.69 MTNR1A (0.67) MTNR1AMTNR1BHPGD
SCHEMBL516151 0.69 HTR1B (0.62) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL17846028 0.69 MTNR1A (0.50) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed