SCHEMBL6584873

SCHEMBL6584873

[CH]=CCC1CC1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.57
MAOB P27338 10/20 0.57
HTR2B P41595 6/20 0.57
HTR2A P28223 4/20 0.57
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MAOA P21397 7/20 0.43
KDM1A O60341 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2B6 P20813 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2A6 P11509 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL13777 0.80 HTR2C (0.57) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL25254330 0.80 HTR2C (0.57) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL3395704 0.80 HTR2C (0.57) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL13778 0.80 HTR2C (0.57) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL3619200 0.72 HTR2C (0.63) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL4129782 0.72 HTR2C (1.00) HTR2CMAOBHTR2BHTR2ASLC6A2
SCHEMBL3614757 0.72 HTR2C (0.63) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL9043644 0.72 HTR2C (0.63) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL6585775 0.72 HTR2C (0.63) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL23562775 0.72 HTR2C (0.63) HTR2CMAOBHTR2BHTR2ADRD2

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-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed