SCHEMBL9355019

SCHEMBL9355019

CC(Cc1ccc(-c2ccc(Cl)cc2)cc1)CN1CC(C)OC(C)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD3 P35462 1/20 0.62
KCNH2 Q12809 1/20 0.62
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
GRM2 Q14416 1/20 0.45
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL9141946 0.96 SIGMAR1 (0.71) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL8852831 0.88 SIGMAR1 (0.62) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11461196 0.88 EBP (0.67) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11435385 0.85 SIGMAR1 (0.71) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11462886 0.84 SIGMAR1 (0.74) EBPSIGMAR1ADORA3CHRM1DRD3
Hydrochloric Acid SCHEMBL11428860 0.83 SIGMAR1 (0.69) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9850406 0.82 SIGMAR1 (0.71) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL10887406 0.82 SIGMAR1 (0.71) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL10887412 0.82 SIGMAR1 (0.71) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL14146050 0.81 EBP (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466612-B1 Method for fungicidal foliage treatment with a triazole and fungicidal composition for carrying out the method RHONE POULENC AGROCHIMIE (FR) 1994-11-09 EP claimed
EP-0466612-A1 Method for fungicidal foliage treatment with a triazole and fungicidal composition for carrying out the method RHONE-POULENC AGROCHIMIE (FR) 1992-01-15 EP claimed
EP-0466612-B1 Method for fungicidal foliage treatment with a triazole and fungicidal composition for carrying out the method RHONE POULENC AGROCHIMIE (FR) 1994-11-09 EP disclosed
EP-0466612-A1 Method for fungicidal foliage treatment with a triazole and fungicidal composition for carrying out the method RHONE-POULENC AGROCHIMIE (FR) 1992-01-15 EP disclosed