SCHEMBL5287417

SCHEMBL5287417

CCC1(CC)CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.45
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
DRD3 P35462 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL14061880 0.91 DGAT1 (0.56) DGAT1DRD2HTR1DDRD3SMN1; SMN2
SCHEMBL14061958 0.88 DGAT1 (0.47) DGAT1DRD2HTR1DDRD3SMN1; SMN2
SCHEMBL14137097 0.88 DGAT1 (0.49) DGAT1DRD2HTR1DDRD3SMN1; SMN2
SCHEMBL3045910 0.83 SMN1; SMN2 (0.45) DRD2HTR1DDRD3SMN1; SMN2
SCHEMBL14061904 0.82 DGAT1 (0.47) DGAT1SMN1; SMN2
SCHEMBL14137103 0.82 DGAT1 (0.58) DGAT1SMN1; SMN2
SCHEMBL629696 0.81 SMN1; SMN2 (0.58) DGAT1DRD2SMN1; SMN2
SCHEMBL14137122 0.81 DGAT1 (0.50) DGAT1DRD2HTR1DDRD3SMN1; SMN2
SCHEMBL15691860 0.81 DGAT1 (0.50) DGAT1DRD2HTR1DDRD3SMN1; SMN2
SCHEMBL14061941 0.79 DGAT1 (0.41) DGAT1DRD2HTR1DDRD3SMN1; SMN2

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-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed