SCHEMBL9845798

SCHEMBL9845798

CC(Cc1cccc(Oc2ccc(C(F)(F)F)cn2)c1)CN1CC(C)OC(C)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.50
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAPK1 P28482 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
MGLL Q99685 8/20 0.46
FAAH O00519 4/20 0.44
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL10593167 0.85 RAB9A (0.48) LIPEEBPSIGMAR1ADORA3CHRM1
SCHEMBL9810846 0.79 EBP (0.53) EBPSIGMAR1MAPK1ADORA3CHRM1
SCHEMBL9810850 0.79 EBP (0.53) EBPSIGMAR1MAPK1ADORA3CHRM1
SCHEMBL9164585 0.78 EBP (0.52) EBPSIGMAR1MAPK1ADORA3CHRM1
SCHEMBL9821267 0.76 EBP (0.43) EBPSIGMAR1MAPK1ADORA3CHRM1
SCHEMBL9810872 0.75 EBP (0.51) EBPSIGMAR1MAPK1ADORA3CHRM1
SCHEMBL9845765 0.75 EBP (0.51) EBPSIGMAR1MAPK1ADORA3CHRM1
SCHEMBL9164655 0.74 EBP (0.50) EBPSIGMAR1MAPK1ADORA3CHRM1
SCHEMBL16519819 0.73 MAPK1 (0.74) LIPEMAPK1MGLLFAAHALDH1A1
SCHEMBL6345394 0.72 SIGMAR1 (0.73) EBPSIGMAR1MAPK1ADORA3CHRM1

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
EP-0405440-A1 Microbicides CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed