SCHEMBL681205

SCHEMBL681205

C=C(C(C)C)[C@H](CN(C)C(C)C)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.49
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
GAA P10253 1/20 0.37

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
SCHEMBL679737 0.88 PDE2A (0.49) PDE2ASLC6A4SLC6A2SLC6A3GAA
SCHEMBL684209 0.86 PDE2A (0.50) PDE2ASLC6A4SLC6A2SLC6A3GAA
SCHEMBL8223539 0.85 PDE2A (0.49) PDE2ASLC6A4SLC6A2SLC6A3GAA
SCHEMBL17803814 0.83 KDM4E (0.32) SLC6A2
SCHEMBL681790 0.82 PDE2A (0.54) PDE2ASLC6A4
SCHEMBL681584 0.79 PDE2A (0.50) PDE2ASLC6A4
SCHEMBL681254 0.74 PDE2A (0.45) PDE2ASLC6A4SLC6A2SLC6A3
SCHEMBL681320 0.71 PDE2A (0.54) PDE2ASLC6A4GAA
SCHEMBL681781 0.71 PDE2A (0.42) PDE2ASLC6A4SLC6A2SLC6A3GAA
SCHEMBL12168589 0.70 KDM4E (0.34) SLC6A2

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
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed