SCHEMBL8284758

SCHEMBL8284758

COC(=O)NCCc1ccccc1OCCO

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.55
MTNR1A P48039 4/20 0.55
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
PPARD Q03181 1/20 0.45
CNR1 P21554 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HIF1A Q16665 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 0.87 MTNR1A (0.68) MTNR1BMTNR1AKMT2AMEN1HPGD
SCHEMBL6874085 0.87 NQO2 (0.51) MTNR1BMTNR1AKMT2AMEN1ADRB2
SCHEMBL17846028 0.85 MTNR1A (0.50) MTNR1BMTNR1AKMT2AMEN1ADRB2
SCHEMBL8493187 0.84 MTNR1A (0.52) MTNR1BMTNR1A
SCHEMBL8504979 0.84 MTNR1A (0.55) MTNR1BMTNR1AKMT2AMEN1ADRB2
SCHEMBL8284003 0.83 MTNR1A (0.48) MTNR1BMTNR1AKMT2AMEN1ADRB2
SCHEMBL7645845 0.80 HRH1 (0.54) MTNR1BMTNR1AKDM4EALDH1A1
SCHEMBL8286476 0.80 KMT2A (0.52) MTNR1BMTNR1AKMT2ACNR1HPGD
SCHEMBL6871966 0.79 TDP1 (0.49) ADRB2ADRB1
SCHEMBL8285817 0.78 PPARD (0.46) MTNR1BMTNR1APPARDKDM4EALDH1A1

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