SCHEMBL7677052

SCHEMBL7677052

C=C(CN1CCN(c2cccc3ccccc23)CC1)CN1C(C)(C)c2ccccc2S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.44
DRD2 P14416 7/20 0.44
HTR7 P34969 6/20 0.44
HTR2A P28223 3/20 0.44
HTR6 P50406 2/20 0.44
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43
HTR2C P28335 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7687016 0.85 HTR1A (0.53) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7677803 0.75 HTR7 (0.51) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7686165 0.73 HTR7 (0.54) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7683742 0.72 DRD2 (0.48) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7683391 0.72 TP53 (0.33)
SCHEMBL7679781 0.72 HTR1A (0.50) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7686977 0.70 HTR1A (0.47) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7681793 0.70 HTR1A (0.47) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7686048 0.69 HTR7 (0.42) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL3664190 0.68 DRD2 (0.59) HTR1ADRD2HTR7HTR2AHTR6

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
US-6346622-B1 ENANTIOMORPHS AND ISOMERS ABBOTT LABORATORIES 2002-02-12 US disclosed