SCHEMBL9739211

SCHEMBL9739211

O=[N+]([O-])c1ccc(OCCCCNCc2ccc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
CYSLTR1 Q9Y271 7/20 0.48
CYSLTR2 Q9NS75 6/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
KCNH2 Q12809 2/20 0.44
GPBAR1 Q8TDU6 3/20 0.44
MAPT P10636 1/20 0.44
CHRM2 P08172 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9753196 0.87 DRD2 (0.56) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL9736957 0.82 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL2567854 0.82 LMNA (0.69) CYSLTR1CYSLTR2LMNAALDH1A1KDM4E
SCHEMBL9737655 0.78 KCNH2 (0.59) DRD2DRD4DRD3CYSLTR1CYSLTR2
SCHEMBL10614795 0.73 HDAC1 (0.48) CYSLTR1CYSLTR2KDM4ECHRM2HTT
SCHEMBL28332341 0.73 HDAC1 (0.45) CYSLTR1CYSLTR2LMNAALDH1A1GPBAR1
SCHEMBL28180985 0.72 DRD2 (0.77) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL9732245 0.72 ALDH1A1 (0.43) DRD2DRD4DRD3CYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8055388 0.72 DRD2 (0.97) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL30388584 0.72 KDM1A (0.50) CYSLTR1CYSLTR2KDM4EHTT

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-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed