SCHEMBL8285804

SCHEMBL8285804

CC(=O)N(C)CCc1ccccc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GHSR Q92847 2/20 0.44
HRH1 P35367 2/20 0.43
BRD4 O60885 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 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
SCHEMBL12634482 0.83 DRD2 (0.54) KDM4EALDH1A1SMN1; SMN2HRH1DRD2
SCHEMBL6272891 0.82 AOC3 (0.61) MTNR1AMTNR1B
SCHEMBL7650232 0.78 GHSR (0.41) KDM4EALDH1A1GHSRHRH1
SCHEMBL12635016 0.77 BCHE (0.41) KDM4EALDH1A1SMN1; SMN2GHSRHRH1
SCHEMBL10335287 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DRD2
SCHEMBL7648747 0.76 GHSR (0.65) MTNR1AMTNR1BGHSR
SCHEMBL8284011 0.75 MTNR1A (0.68) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8507880 0.75 GHSR (0.49) KDM4EALDH1A1GHSR
SCHEMBL73790 0.75 PPARD (0.54) ALDH1A1
SCHEMBL12634753 0.75 GHSR (0.41) KDM4EALDH1A1SMN1; SMN2GHSRBRD4

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