SCHEMBL27850851

SCHEMBL27850851

CC(O)c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.64
LIPG Q9Y5X9 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES2 O00748 2/20 0.34
GSK3B P49841 1/20 0.34
PNMT P11086 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 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
SCHEMBL2481758 1.00 PDE2A (0.64) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL31040742 0.85 PDE2A (0.59) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL150245 0.85 PDE2A (0.59) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL31064629 0.85 PDE2A (0.59) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL6794936 0.85 PDE2A (0.59) PDE2ALIPGSCN10AHTR2AHTR2C
SCHEMBL8389283 0.85 PDE2A (0.49) PDE2AHTR2AHTR2CHTR2BNPSR1
SCHEMBL27877627 0.83 PDE2A (0.47) PDE2AHTR2AHTR2CHTR2BNPSR1
SCHEMBL31704883 0.81 PDE2A (0.46) PDE2ASCN10AHTR2AHTR2CHTR2B
SCHEMBL31706720 0.81 PDE2A (0.46) PDE2ASCN10AHTR2AHTR2CHTR2B
SCHEMBL18075239 0.81 PDE2A (0.68) PDE2ALIPGSCN10AHTR2AHTR2C

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
CN-102307852-A Cyclic amine compounds DAIICHI SANKYO CO LTD 2012-01-04 CN disclosed
CN-102307847-A Indanyl compounds DAIICHI SANKYO CO LTD 2012-01-04 CN disclosed