SCHEMBL5795372

SCHEMBL5795372

O=[N+]([O-])c1ccc(Cl)c(CN2CCC(OCc3c[nH]cn3)CC2)c1.c1ccc2c(c1)sc1sc(CN3CCC(OCc4c[nH]cn4)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX7 Q99572 1/20 0.33
DRD4 P21917 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BCHE P06276 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL606843 0.86 ALDH1A1 (0.57) KDM4EALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL612454 0.86 DRD4 (0.36) ADORA2ADRD4TMEM97SIGMAR1
SCHEMBL603627 0.73 SIGMAR1 (0.43) DRD4TMEM97SIGMAR1
SCHEMBL606684 0.72 ACHE (0.54) KDM4EALDH1A1LMNASIGMAR1MEN1
SCHEMBL604819 0.71 MEN1 (0.43) KDM4EALDH1A1LMNADRD4TMEM97
SCHEMBL5480509 0.71 CHRNA7 (0.49) KDM4ESMN1; SMN2DRD4SIGMAR1
SCHEMBL606943 0.69 SIGMAR1 (0.45) DRD4TMEM97SIGMAR1
SCHEMBL5477748 0.69 L3MBTL1 (0.53) KDM4EALDH1A1LMNASMN1; SMN2ADORA2A
SCHEMBL606660 0.69 JAK2 (0.42) ALDH1A1DRD4TMEM97SIGMAR1
SCHEMBL606818 0.68 OPRM1 (0.45) LMNACYP2D6DRD4TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651634-A1 IMIDAZOL DERIVATIVES OF PIPERIDINE AS HISTAMINE ANTAGONISTS AstraZeneca AB (SE) 2006-05-03 EP disclosed
WO-2005014579-A1 IMIDAZOL DERIVATIVES OF PIPERDINE AS HISTAMINE ANTAGONISTS ASTRAZENECA AB (SE) 2005-02-17 WO disclosed