SCHEMBL13376374

SCHEMBL13376374

CC[C@H](NN)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.42
GPR139 Q6DWJ6 1/20 0.39
KCNA5 P22460 1/20 0.39
EEF2K O00418 1/20 0.39
CASR P41180 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KIF11 P52732 1/20 0.37
FPR2 P25090 1/20 0.36
HSD11B1 P28845 1/20 0.36
FAAH O00519 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL8298546 1.00 PDE2A (0.42) PDE2AGPR139KCNA5EEF2KCASR
SCHEMBL3595285 0.86 UTS2R (0.42) PDE2AEEF2KUTS2R
SCHEMBL8286104 0.83 PDE2A (0.43) PDE2AGPR139KCNA5EEF2KCASR
SCHEMBL23891981 0.81 PDE2A (0.42) PDE2AGPR139KCNA5EEF2KCASR
SCHEMBL10087177 0.81 PDE2A (0.46) PDE2AGPR139KCNA5EEF2KCASR
SCHEMBL8046163 0.76 ALDH1A1 (0.51) GPR139KCNA5ALDH1A1
SCHEMBL7733495 0.76 GPR139 (0.49) PDE2AGPR139KCNA5EEF2KUTS2R
SCHEMBL21932831 0.75 PDE2A (0.39) PDE2AGPR139CASRKIF11FPR2
SCHEMBL20339684 0.75 KCNK3 (0.41)
SCHEMBL30209365 0.75 PDE2A (0.39) PDE2AGPR139CASRKIF11FPR2

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-1656141-B1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (GB) 2010-04-14 EP disclosed