SCHEMBL13999724

SCHEMBL13999724

Cc1cc(F)cc(F)c1NCCNCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ OPRL1 P41146 1/20 0.33
▸ FUCA1 P04066 1/20 0.33
▸ PTGER2 P43116 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.30

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
SCHEMBL13999720 0.80 MAOA (0.39) MAOAMAOBPKM
SCHEMBL14000124 0.77 MAOA (0.39) MAOAMAOBPTGER2ALDH1A1MAPT
SCHEMBL13999721 0.74 ALDH1A1 (0.49) ALDH1A1MAPTPKM
SCHEMBL18488826 0.69 RAPGEF4 (0.44) RAPGEF4PTGER2
SCHEMBL14431745 0.68 PKM (0.41) MAOAMAOBALDH1A1PKM
SCHEMBL14000133 0.68 GUCY1A1 (0.51) ALDH1A1SMN1; SMN2MAPT
SCHEMBL18490818 0.67 RAPGEF4 (0.42) RAPGEF4PTGER2
SCHEMBL14000123 0.66 GAA (0.49) ALDH1A1SMN1; SMN2MAPT
SCHEMBL5233047 0.66 MAOA (0.61) MAOAMAOBALDH1A1
SCHEMBL19036558 0.65 MAPT (0.47) MAOAMAOBALDH1A1MAPT

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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 — — EP disclosed
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