SCHEMBL28056192

SCHEMBL28056192

Nc1ccc(C(F)(F)F)c(Cl)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
P2RX7 Q99572 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
FFAR1 O14842 1/20 0.33
CLCN2 P51788 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KIF11 P52732 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL6834930 0.80 P2RX7 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10825784 0.78 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5594767 0.77 KIF11 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4346966 0.77 KIF11 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30574195 0.77 KIF11 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1026527 0.75 CSNK2A2 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9725597 0.75 P2RX7 (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30448114 0.73 P2RX7 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31295797 0.72 KIF11 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9747725 0.72 KIF11 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C

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-105431427-B Novel PDE 4 inhibitor 明治制果药业株式会社 2017-12-08 CN disclosed
CN-105431427-A Novel PDE4 inhibitor MEIJI SEIKA PHARMA CO LTD 2016-03-23 CN disclosed