SCHEMBL6532258

SCHEMBL6532258

CCCNCC1COC2(CCCCC2)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.58
ADRA1D P25100 9/20 0.58
ADRA1B P35368 9/20 0.58
ADRA1A P35348 7/20 0.55
PABPC1 P11940 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
GAA P10253 1/20 0.44
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
RIN1 Q13671 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL10151345 0.82 HTR1A (0.56) HTR1AADRA1DADRA1BADRA1APABPC1
SCHEMBL20588784 0.81 ADRA1D (0.41) HTR1AADRA1DADRA1BADRA1APABPC1
SCHEMBL1235933 0.80 CA2 (0.51) HTR1AADRA1DADRA1BADRA1APOLB
SCHEMBL13381099 0.79 PABPC1 (0.59) HTR1AADRA1DADRA1BADRA1APABPC1
SCHEMBL18885118 0.79 PABPC1 (0.59) HTR1AADRA1DADRA1BADRA1APABPC1
SCHEMBL12943471 0.78 PABPC1 (0.54) HTR1AADRA1DADRA1BADRA1APABPC1
SCHEMBL13381093 0.77 PABPC1 (0.56) HTR1AADRA1DADRA1BADRA1APABPC1
SCHEMBL13381193 0.75 PABPC1 (0.51) HTR1AADRA1DADRA1BADRA1APABPC1
SCHEMBL11175752 0.75 PABPC1 (0.51) HTR1AADRA1DADRA1BADRA1APABPC1
SCHEMBL11177497 0.75 PABPC1 (0.51) HTR1AADRA1DADRA1BADRA1APABPC1

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-2005026139-A1 NEMATICIDAL DIFLUOROALKENES BAYER CROPSCIENCE AG (DE) 2005-03-24 WO disclosed