SCHEMBL8282804

SCHEMBL8282804

Cc1cc(C)c(C(C)O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.32
DAO P14920 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL13264008 1.00 PDE2A (0.32) PDE2ADAOADRA2AADRA2BADRA2C
SCHEMBL24800843 0.88 PDE2A (0.33) PDE2AADRB2ADRB1ADRB3
SCHEMBL8251555 0.86 PDE2A (0.36) PDE2ADAOADRA2AADRA2BADRA2C
SCHEMBL19420218 0.83 LMNA (0.33) PDE2A
SCHEMBL8257851 0.82 PDE2A (0.36) PDE2ADAOADRA2AADRA2BADRA2C
SCHEMBL12648684 0.81 GABRA1 (0.34)
SCHEMBL6742606 0.81 KDM1A (0.33) PDE2A
SCHEMBL20812098 0.79 PDE2A (0.30) PDE2A
SCHEMBL13265231 0.77 PDE2A (0.46) PDE2AADRA2AADRA2BADRA2CADRB2
SCHEMBL17215436 0.73 PDE2A (0.39) PDE2AADRA2AADRA2BADRA2CADRB2

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-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed