SCHEMBL22293298

SCHEMBL22293298

OCc1ccc(CCC(F)F)nc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
HTR1A P08908 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL6705826 0.79 HRH1 (0.44) HRH3HTR2ACYP1A2CYP2D6HTR1A
SCHEMBL4140258 0.76 CCR1 (0.41) HRH3CYP1A2CYP2D6CYSLTR1NPC1
SCHEMBL23525243 0.76 HRH3 (0.37) HRH3HTR2AHTR2CKCNH2CYP1A2
SCHEMBL5109146 0.76 HRH3 (0.44) HRH3CYP1A2CYP2D6RXRANPC1
SCHEMBL3864978 0.75 PPARG (0.38) HRH3HTR2CCYP1A2CYP2D6RXRA
SCHEMBL2717171 0.75 HRH3 (0.34) HRH3HTR2AHTR2CKCNH2CYP1A2
SCHEMBL1829134 0.75 ABAT (0.34) HRH3CYSLTR1
SCHEMBL28230882 0.71 HRH3 (0.34) HRH3HTR2AHTR2CKCNH2CYP1A2
SCHEMBL16682705 0.71 RECQL (0.36) HRH3CYP1A2CYP2D6CYSLTR1HTR1A
SCHEMBL2643146 0.71 PRSS1 (0.34) HRH3CYP1A2CYP2D6CYSLTR1NPC1

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-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed