SCHEMBL9862826

SCHEMBL9862826

CCCCCOc1ccccc1CC(C)CN1CC(C)OC(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 6/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9862828 0.80 EBP (0.60) ADORA3CHRM1DRD3KCNH2EBP
SCHEMBL9242248 0.78 KDM4E (0.52) ADORA3CHRM1DRD3KCNH2EBP
SCHEMBL8852823 0.76 MAPK1 (0.47) ADORA3CHRM1DRD3KCNH2EBP
SCHEMBL10500566 0.73 EBP (0.51) ADORA3CHRM1DRD3KCNH2EBP
SCHEMBL10576529 0.73 EBP (0.51) ADORA3CHRM1DRD3KCNH2EBP
Hydrochloric Acid SCHEMBL1934868 0.72 ADORA3 (0.62) ADORA3CHRM1DRD3KCNH2EBP
Hydrochloric Acid SCHEMBL1934864 0.72 ADORA3 (0.62) ADORA3CHRM1DRD3KCNH2EBP
SCHEMBL4454622 0.72 EBP (0.70) ADORA3CHRM1DRD3KCNH2EBP
SCHEMBL14146050 0.72 EBP (0.70) ADORA3CHRM1DRD3KCNH2EBP
SCHEMBL11927700 0.72 EBP (0.70) ADORA3CHRM1DRD3KCNH2EBP

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-0433194-A1 Fungicide composition with synergistic effect based on one morpholine and one triazole RHONE-POULENC AGROCHIMIE (FR) 1991-06-19 EP claimed
EP-0433194-A1 Fungicide composition with synergistic effect based on one morpholine and one triazole RHONE-POULENC AGROCHIMIE (FR) 1991-06-19 EP disclosed