SCHEMBL1668614

SCHEMBL1668614

C[S+]([O-])N1CCN(c2cnc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
LIPE Q05469 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CHRM4 P08173 1/20 0.34

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
SCHEMBL12198325 0.85 KDM4E (0.49) PRKAA2CASP1CASP4CASP5LIPE
SCHEMBL1668538 0.83 KDM4E (0.51) PRKAA2CASP1CASP4CASP5LIPE
SCHEMBL12198260 0.79 KDM4E (0.48) PRKAA2CASP1CASP4CASP5LIPE
SCHEMBL1669073 0.77 PPARD (0.39) CASP1CASP4CASP5LMNAKDM4E
SCHEMBL12224859 0.77 SMN1; SMN2 (0.46) PRKAA2LIPESMN1; SMN2LMNAPRKAB2
SCHEMBL12198328 0.76 KDM4E (0.42) PRKAA2LIPEKDM4EALDH1A1PRKAB2
SCHEMBL1668769 0.75 PRKAA2 (0.40) PRKAA2SMN1; SMN2PPARACHRM4DRD4
SCHEMBL1668515 0.73 ACACB (0.41)
SCHEMBL1668706 0.73 KDM4E (0.45) PRKAA2LIPEKDM4EALDH1A1PRKAB2
SCHEMBL13894648 0.71 LIPE (0.43) PRKAA2LIPEKDM4EALDH1A1PRKAB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO disclosed