SCHEMBL15501176

SCHEMBL15501176

CN(C)CCCOc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 1.00
HTR1D P28221 4/20 0.65
SLC6A4 P31645 2/20 0.61
HRH1 P35367 1/20 0.61
KCNA3 P22001 1/20 0.60
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
NR2E1 Q9Y466 1/20 0.56

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
SCHEMBL7275543 0.95 HTR1B (1.00) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL10981487 0.93 HTR1B (0.97) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL10993955 0.93 HTR1B (0.97) HTR1BHTR1DSLC6A4HRH1KCNA3
Hydrochloric Acid SCHEMBL10984513 0.92 HTR1B (0.94) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL8379698 0.91 HTR1B (1.00) HTR1BHTR1DSLC6A4HRH1KCNA3
Acetic Acid SCHEMBL10989139 0.85 HTR1B (0.81) HTR1BHTR1DSLC6A4KCNA3KDM4E
Sulfuric Acid SCHEMBL10984050 0.85 HTR1B (0.81) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL29910900 0.84 HTR1B (0.88) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL22831356 0.84 HTR1B (0.88) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL9770352 0.83 KCNA3 (0.81) HTR1BHTR1DSLC6A4HRH1KCNA3

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
EP-2163949-B1 Developer for lithographic printing plate precursor and process for producing lithographic printing plate FUJIFILM CORP (JP) 2014-03-12 EP disclosed