SCHEMBL8107485

SCHEMBL8107485

COc1ccc(CCCCNC(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.65
MTNR1B P49286 3/20 0.65
PLAAT3 P53816 1/20 0.60
PLAAT5 Q96KN8 1/20 0.60
PLAAT2 Q9NWW9 1/20 0.60
PLAAT4 Q9UL19 1/20 0.60
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TGM2 P21980 1/20 0.53
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52

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
SCHEMBL17117410 0.83 PLAAT3 (0.72) MTNR1AMTNR1BPLAAT3PLAAT5PLAAT2
SCHEMBL13097760 0.82 MTNR1A (0.57) MTNR1AMTNR1BPLAAT3PLAAT5PLAAT2
SCHEMBL8100512 0.81 HTT (0.60) MTNR1AMTNR1BHTTKMT2AMEN1
SCHEMBL16804701 0.81 HTT (0.62) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL16804706 0.81 HTT (0.62) HTTL3MBTL1TGM2
SCHEMBL917677 0.81 HTT (0.65) PLAAT3PLAAT5PLAAT2PLAAT4HTT
SCHEMBL6748819 0.80 HTT (0.72) HTTKMT2AL3MBTL1TGM2KDM4E
SCHEMBL18254066 0.80 HTT (0.81) HTTKMT2AL3MBTL1TGM2
SCHEMBL16804702 0.80 HTT (0.60) HTTKMT2AMEN1L3MBTL1TGM2
SCHEMBL10110752 0.80 HTT (0.54) ALDH1A1HTTKMT2AMEN1L3MBTL1

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-2008153902-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 WO disclosed