SCHEMBL25809486

SCHEMBL25809486

COc1cc(C#N)ccc1CCNCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.55
MPO P05164 1/20 0.50
CHEK1 O14757 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTR2C P28335 3/20 0.47
BCHE P06276 2/20 0.47
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44
NPY2R P49146 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL25809437 0.87 HTR2A (0.63) HTR2ACHEK1KMT2AHTR2CBCHE
SCHEMBL25809444 0.86 HTR2A (0.55) HTR2ACHEK1KMT2AHTR2CBCHE
SCHEMBL25809492 0.84 HTR2A (0.56) HTR2AMPOCHEK1KMT2AHTR2C
SCHEMBL25809485 0.81 HTR2A (0.71) HTR2AMPOKMT2AMEN1HTR2C
SCHEMBL25809490 0.81 HTR2A (0.60) HTR2ACHEK1KMT2AMEN1HTR2C
SCHEMBL25809489 0.80 HTR2A (0.61) HTR2AHTR2CBCHEKDM4ELMNA
SCHEMBL25809589 0.75 HTR2A (0.54) HTR2AMPOHTR2CBCHEKDM4E
SCHEMBL23235818 0.75 AR (0.45) HTR2AHTR2CLMNA
SCHEMBL25809647 0.75 HTR2A (0.51) HTR2ACHEK1HTR2C
SCHEMBL30068214 0.73 HTR2A (0.54) HTR2AMPOKMT2AMEN1HTR2C

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
WO-2023130181-A1 PHENETHLYAMINES AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2023-07-13 WO disclosed