SCHEMBL6835993

SCHEMBL6835993

CCNC1=CC2C(=CC=Cc3ccccc32)S1

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
THPO P40225 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4958308 0.77 HTR2A (0.33) HTR2A
SCHEMBL4295561 0.75 KDM4E (0.33) KDM4EHSD17B10
SCHEMBL4287880 0.64 HTR2A (0.32) HTR2A
SCHEMBL4063453 0.63 HTR2A (0.31) HTR2A
SCHEMBL20987114 0.58 MAPT (0.45)
SCHEMBL19690786 0.58 HTR2A (0.32) HTR2A
SCHEMBL4295979 0.57 HTR2A (0.31) HTR2A
Diethylamine SCHEMBL6907117 0.56 SIGMAR1 (0.40) KDM4ELMNATP53CHRM2CYP3A4
Diethylamine SCHEMBL3629751 0.56 SIGMAR1 (0.40) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL8197562 0.55

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
WO-2003026591-A9 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2004-07-08 WO disclosed