SCHEMBL7145291

SCHEMBL7145291

CCN(CC)CCC(CCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 15/20 0.52
CHRM1 P11229 1/20 0.45
AKR1A1 P14550 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRM3 Q14832 2/20 0.44
NAALAD2 Q9Y3Q0 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
SCHEMBL10775061 0.89 FOLH1 (0.47) FOLH1CHRM1AKR1A1CHRM3HTR2A
Dimethylamine SCHEMBL5604994 0.84 FOLH1 (0.47) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15900035 0.82 FOLH1 (0.52) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL29624642 0.82 CA2 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10357849 0.81 CA2 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15033639 0.80 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10797285 0.78 FOLH1 (0.50) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL108166 0.78 FOLH1 (0.76) FOLH1GRM3NAALAD2
SCHEMBL3315518 0.78 GRIK1 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2230782 0.77 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A

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
EP-1095032-B1 REAGENTS FOR CYP2D FLUORESCENT ASSAY GENTEST CORP (US) 2003-12-10 EP disclosed
EP-1095032-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2001-05-02 EP disclosed
US-6130342-A A 2-OXOCHROMAN COMPOUND CONTAINING A QUATERNARY AMINE GROUP GENTEST CORPORATION (US) 2000-10-10 US disclosed
WO-2000004008-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2000-01-27 WO disclosed