SCHEMBL9687940

SCHEMBL9687940

[CH2]CC1CN(C(=O)OC)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
P2RX4 Q99571 2/20 0.39
BCHE P06276 1/20 0.38
P2RY1 P47900 1/20 0.37
CNR2 P34972 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA1G O43497 1/20 0.35
DRD4 P21917 1/20 0.34
SRD5A1 P18405 1/20 0.34

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
SCHEMBL9212320 0.87 NOTUM (0.44) NOTUMPRKACAPRKACGPRKACBKMT2A
SCHEMBL27603646 0.84 NOTUM (0.62) NOTUMPRKACAPRKACGPRKACBDRD2
SCHEMBL9212313 0.75 NOTUM (0.44) NOTUMKMT2AMEN1P2RX4BCHE
SCHEMBL13369003 0.75 HDAC1 (0.42) NOTUMPRKACAPRKACGPRKACBBCHE
SCHEMBL13369000 0.74 HDAC1 (0.43) NOTUMPRKACAPRKACGPRKACBBCHE
SCHEMBL20505774 0.73 NOTUM (0.42) NOTUMPRKACAPRKACGPRKACBP2RY1
SCHEMBL30681400 0.73 KDM1A (0.46) NOTUMPRKACAPRKACGPRKACBBCHE
SCHEMBL30027630 0.71 KDM1A (0.46) NOTUMPRKACAPRKACGPRKACBBCHE
SCHEMBL21209965 0.71 KDM1A (0.46) NOTUMPRKACAPRKACGPRKACBBCHE
SCHEMBL5560252 0.71 KDM1A (0.44) NOTUMPRKACAPRKACGPRKACBBCHE

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed