SCHEMBL7292248

SCHEMBL7292248

Cc1nccn1CCCOc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
TBXAS1 P24557 1/20 0.51
HRH3 Q9Y5N1 12/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
MAPT P10636 1/20 0.50
HRH1 P35367 8/20 0.48
HRH2 P25021 7/20 0.48
CYP19A1 P11511 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11248409 0.82 ALDH1A1 (0.54) MEN1ALDH1A1POLBKMT2ACYP1A2
SCHEMBL11243418 0.78 ALDH1A1 (0.53) ALDH1A1POLBKMT2AHRH3CYP1A2
SCHEMBL7293790 0.78 GAA (0.58) ALDH1A1POLBKMT2ATBXAS1CYP1A2
SCHEMBL7855826 0.76 LMNA (0.59) KMT2ACYP19A1LMNAL3MBTL1
SCHEMBL23657179 0.75 ALDH1A1 (0.65) ALDH1A1POLBKMT2ACYP19A1HTT
SCHEMBL11247290 0.75 NPSR1 (0.55) ALDH1A1POLBKMT2ACYP1A2CYP3A4
SCHEMBL11142733 0.74 TBXAS1 (0.51) ALDH1A1POLBKMT2ATBXAS1LMNA
SCHEMBL17629967 0.74 ALDH1A1 (0.45) MEN1ALDH1A1POLBKMT2ACYP1A2
SCHEMBL27090339 0.74 ALDH1A1 (0.80) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL25009512 0.74 ALDH1A1 (0.80) ALDH1A1POLBKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed