SCHEMBL9862828

SCHEMBL9862828

CCCCCOc1ccc(CC(C)CN2CC(C)OC(C)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD3 P35462 1/20 0.60
KCNH2 Q12809 1/20 0.60
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.47
HTT P42858 2/20 0.46
S1PR1 P21453 6/20 0.46
S1PR5 Q9H228 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
S1PR3 Q99500 4/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL9164899 0.84 EBP (0.64) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11346414 0.83 EBP (0.67) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9162747 0.81 EBP (0.62) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11462886 0.80 SIGMAR1 (0.74) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9862826 0.80 ADORA3 (0.46) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9815028 0.80 SIGMAR1 (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL10823868 0.80 SIGMAR1 (0.59) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL10823850 0.80 SIGMAR1 (0.59) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL8852831 0.79 SIGMAR1 (0.62) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9161151 0.79 EBP (0.58) EBPSIGMAR1ADORA3CHRM1DRD3

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