SCHEMBL9738895

SCHEMBL9738895

CN(c1ccncc1)n1ccc2cc(OC(=O)NN3CCN(c4ccccc4)CC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.45
GAA P10253 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LIPE Q05469 1/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL9739036 0.87 SLC6A2 (0.47) SLC6A2LIPETSHRCYP2D6SMN1; SMN2
SCHEMBL8541743 0.80 SLC6A2 (0.56) SLC6A2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL8539248 0.79 EPHX1 (0.50) SLC6A2FAAH
SCHEMBL8539243 0.77 SLC6A2 (0.54) SLC6A2NPSR1LIPEKDM4EALDH1A1
SCHEMBL8543202 0.77 SLC6A2 (0.49) SLC6A2GAAKDM4EMAPTCYP2C9
SCHEMBL8539588 0.75 SLC6A2 (0.50) SLC6A2
SCHEMBL9672902 0.74 SLC6A2 (0.62) SLC6A2LIPE
Hydrochloric Acid SCHEMBL8544161 0.74 SLC6A2 (0.49) SLC6A2
SCHEMBL8543206 0.73 SLC6A2 (0.44) SLC6A2CYP2C9
SCHEMBL9672239 0.72 SLC6A2 (0.55) SLC6A2LIPE

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
US-5102891-A Useful for treating various memory dysfunctions such as alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-04-07 US disclosed