SCHEMBL1715022

SCHEMBL1715022

COc1ccc(F)cc1N1CCNCC1S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR6 P50406 12/20 0.43
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
DRD2 P14416 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD3 P35462 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL1714647 0.84 HTR2C (0.41) HTR6HTR2CHTR2BHTR2AALDH1A1
SCHEMBL3796418 0.74 SLC6A2 (0.49) HTR6HTR2CHTR2BHTR2AHTR3E
SCHEMBL30407459 0.70 CHRM2 (0.43) HTR6HTR2CHTR2AALDH1A1
SCHEMBL1715019 0.69 GAA (0.76) GFERMEN1KMT2AALDH1A1GAA
SCHEMBL28440794 0.69 SLC6A2 (0.41) HTR6HTR2CADRB1CYP2C19MAPT
SCHEMBL28393842 0.68 HTR2C (0.41) HTR6HTR2CHTR2BHTR2ADRD3
SCHEMBL2873088 0.68 HTR3E (0.68) HTR6HTR3EHTR3BADRB1DRD2
SCHEMBL9185398 0.68 PKM (0.42) MEN1KMT2AHTR6HTR2CHTR2A
SCHEMBL19709331 0.67 HTR2C (0.47) HTR6HTR2CHTR2BHTR2ADRD2
SCHEMBL21359242 0.67 HTR2C (0.47) HTR6HTR2CHTR2BHTR2ADRD2

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-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed