SCHEMBL6806326

SCHEMBL6806326

COc1ccc(CCNCc2ccccc2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.62
BCHE P06276 6/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ATM Q13315 1/20 0.57
HTR2C P28335 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL7503765 0.83 HTR2A (0.59) HTR2ABCHEKMT2AMEN1ATM
SCHEMBL11883481 0.82 GAA (0.58) HTR2ABCHEKMT2AMEN1ATM
SCHEMBL11880287 0.81 GAA (0.60) HTR2ABCHEKMT2AMEN1
SCHEMBL29194688 0.79 BCHE (0.80) HTR2ABCHEKMT2AMEN1ATM
SCHEMBL23023138 0.79 HTR2A (0.86) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL31332137 0.79 HTR2A (0.86) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL10032816 0.79 MEN1 (0.85) BCHEKMT2AMEN1ATM
SCHEMBL12131075 0.79 MEN1 (0.85) BCHEKMT2AMEN1ATM
SCHEMBL17754723 0.78 APLNR (0.58) HTR2AKMT2AMEN1HTR2C
SCHEMBL11092418 0.77 BCHE (0.64) HTR2ABCHEKMT2AMEN1ATM

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-1385494-A2 AEROSOL COMPOSITIONS CONTAINING FORMOTEROL AND A STEROID SUCH AS E.G. BUDESONIDE OR FLUTICASONE FOR DELIVERY INTO THE LUNGS Dey L.P. (US) 2004-02-04 EP disclosed
WO-2002083113-A2 AEROSOL COMPOSITIONS CONTAINING FORMOTEROL AND A STEROID SUCH AS E.G. BUDESONIDE OR FLUTICASONE FOR DELIVERY INTO THE LUNGS VIA NEBULIZATION DEY, L.P. (US) 2002-10-24 WO disclosed