SCHEMBL3986906

SCHEMBL3986906

O=C(NCCCCc1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.70
OPRK1 P41145 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
KDM4C Q9H3R0 1/20 0.62
ALDH1A1 P00352 3/20 0.61
HPGD P15428 1/20 0.61
RCE1 Q9Y256 1/20 0.61
HTR1A P08908 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
DRD3 P35462 1/20 0.60
PKM P14618 1/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL13073430 0.90 MEN1 (0.74) OPRM1OPRK1TMEM97SIGMAR1MEN1
SCHEMBL3977199 0.84 NPC1 (0.60) OPRM1OPRK1TMEM97SIGMAR1HPGD
SCHEMBL28514763 0.83 ALDH1A1 (0.68) OPRM1OPRK1TMEM97SIGMAR1MEN1
SCHEMBL6085154 0.83 NPC1 (0.82) ALDH1A1HPGDHTR1ARAB9ANPC1
SCHEMBL31047562 0.82 ALDH1A1 (0.67) OPRM1OPRK1TMEM97SIGMAR1MEN1
SCHEMBL31047592 0.82 ALDH1A1 (0.67) OPRM1OPRK1TMEM97SIGMAR1MEN1
SCHEMBL16492626 0.82 ALDH1A1 (0.66) OPRM1OPRK1TMEM97SIGMAR1MEN1
SCHEMBL10243011 0.82 ALDH1A1 (0.70) OPRM1OPRK1TMEM97SIGMAR1MEN1
SCHEMBL11471900 0.82 MEN1 (0.70) OPRM1OPRK1TMEM97SIGMAR1MEN1
SCHEMBL5095301 0.81 ALDH1A1 (0.73) OPRM1OPRK1TMEM97SIGMAR1MEN1

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-2009057668-A1 AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 WO disclosed