SCHEMBL8523693

SCHEMBL8523693

CCCCCC(=O)c1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.52
WNT3A P56704 1/20 0.52
FAAH O00519 8/20 0.51
DAGLA Q9Y4D2 5/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL13662384 0.88 FAAH (0.62) FAAHDAGLA
SCHEMBL1958546 0.82 FAAH (0.54) FAAHMEN1ALDH1A1MAPTHTT
SCHEMBL28251784 0.81 FAAH (0.56) FAAHMEN1ALDH1A1MAPTHTT
SCHEMBL5535082 0.81 FAAH (0.56) FAAHMEN1ALDH1A1MAPTHTT
SCHEMBL1255019 0.78 LMNA (0.61) CTNNB1WNT3AFAAHALDH1A1HTT
SCHEMBL1254915 0.77 LMNA (0.63) CTNNB1WNT3AFAAHDAGLAHTT
SCHEMBL9658034 0.77 LMNA (0.63) CTNNB1WNT3AFAAHDAGLAHTT
SCHEMBL9440127 0.77 LMNA (0.63) CTNNB1WNT3AFAAHDAGLAHTT
SCHEMBL17817131 0.77 LMNA (0.63) CTNNB1WNT3AFAAHDAGLAHTT
SCHEMBL1254914 0.77 LMNA (0.63) CTNNB1WNT3AFAAHDAGLAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927169-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1999-07-07 EP disclosed
WO-1998011074-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1998-03-19 WO disclosed