SCHEMBL4710684

SCHEMBL4710684

Cc1ccccc1CCN(C)C1CN(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
GPR139 Q6DWJ6 4/20 0.40
GRIN2B Q13224 2/20 0.40
ACACB O00763 4/20 0.39
KCNH2 Q12809 1/20 0.38
TEAD1 P28347 2/20 0.38
UTS2R Q9UKP6 3/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL4711078 0.74 L3MBTL1 (0.42)
SCHEMBL3315852 0.68 TEAD1 (0.44) PDE2AGPR139GRIN2BACACBTEAD1
SCHEMBL1968535 0.66 HTR2A (0.55) GRIN2BKCNH2
SCHEMBL3022629 0.64 ALDH1A1 (0.43) GPR139GRIN2B
SCHEMBL4713293 0.63 TAAR1 (0.49)
SCHEMBL7731888 0.63 ACACB (0.55) PDE2AACACB
SCHEMBL13683329 0.63 ACACB (0.55) PDE2AACACB
SCHEMBL31036977 0.62 PDE2A (0.51) PDE2AGPR139ACACB
SCHEMBL23122208 0.61 HTT (0.57) PDE2AGPR139
SCHEMBL23122205 0.61 HTT (0.57) PDE2AGPR139

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-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed