SCHEMBL8488806

SCHEMBL8488806

CC1(C)CNc2c(CO)cccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.37
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
PGR P06401 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL3079489 0.76 PDK2 (0.44) PDK2PGR
SCHEMBL17397785 0.73 PDE7A (0.39) PDK2
SCHEMBL3823831 0.73 PDE7A (0.38) PDK2
SCHEMBL11934149 0.71 CA2 (0.38)
SCHEMBL10828059 0.70 PDK2 (0.38) PDK2
SCHEMBL9827965 0.67 OPRM1 (0.33) PDK2DRD2HTR2AOPRM1OPRD1
SCHEMBL31273412 0.65 DRD2 (0.36) DRD2HTR2A
SCHEMBL1031209 0.63 PDK2 (0.42) PDK2HTR2AOPRM1OPRL1
SCHEMBL29384370 0.63 PDK2 (0.42) PDK2HTR2AOPRM1OPRL1
SCHEMBL7034736 0.63 GSK3B (0.35) PDK2

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-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP disclosed