SCHEMBL737837

SCHEMBL737837

C1=C(CCCC2=Cc3ccccc3C2)Cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 2/20 0.54
DRD3 P35462 2/20 0.54
HTR2B P41595 2/20 0.54
ACHE P22303 1/20 0.49
DRD2 P14416 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
PTGS2 P35354 1/20 0.37
PREP P48147 1/20 0.37
TRPA1 O75762 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL7566441 0.94 HTR1A (0.53) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL577446 0.91 HTR1A (0.57) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL30666833 0.91 HTR2A (0.48) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL7195698 0.88 HTR1A (0.49) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL29922720 0.88 HTR1A (0.49) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL5613920 0.87 HTR2A (0.48) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL29922564 0.85 HTR2A (0.47) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL3689438 0.85 HTR1A (0.53) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL11767791 0.83 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL20359652 0.83 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202959-B2 Process for preparing polymers from 3-methylbut-1-ene EVONIK OXENO GMBH (DE) 2012-06-19 US disclosed
US-8138293-B2 Process for preparing polymers from 3-methylbut-1-ene EVONIK OXENO GMBH (DE) 2012-03-20 US disclosed
US-20110201767-A1 PROCESS FOR PREPARING POLYMERS FROM 3-METHYLBUT-1-ENE EVONIK OXENO GMBH (DE) 2011-08-18 US disclosed
US-20090203858-A1 PROCESS FOR PREPARING POLYMERS FROM 3-METHYLBUT-1-ENE EVONIK OXENO GMBH (DE) 2009-08-13 US disclosed