SCHEMBL8809987

SCHEMBL8809987

CC(C)c1cn2c(CCN3CCC(c4coc5cc(F)ccc45)CC3)csc2n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.39
SLC6A4 P31645 4/20 0.39
CTSS P25774 1/20 0.37
HTR2A P28223 8/20 0.37
HTR7 P34969 7/20 0.37
KCNH2 Q12809 6/20 0.36
ACHE P22303 2/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8808427 0.86 CTSS (0.38) DRD2SLC6A4CTSSHTR2AHTR7
SCHEMBL8809389 0.85 DRD2 (0.39) DRD2SLC6A4CTSSHTR2AHTR7
SCHEMBL8810725 0.79 DRD2 (0.39) DRD2SLC6A4CTSSHTR2AHTR7
SCHEMBL8808109 0.77 DRD2 (0.39) DRD2SLC6A4CTSSHTR2AHTR7
SCHEMBL8810788 0.77 DRD2 (0.41) DRD2SLC6A4CTSSHTR2AHTR7
SCHEMBL8808671 0.74 DRD2 (0.60) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL7699932 0.73 DRD2 (0.55) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8808524 0.72 DRD2 (0.54) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8809944 0.70 DRD2 (0.57) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8810773 0.69 DRD2 (0.39) DRD2SLC6A4CTSSHTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794185-A1 BICYCLIC THIAZOLE COMPOUND MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-10 EP claimed
EP-0794185-A1 BICYCLIC THIAZOLE COMPOUND MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-10 EP disclosed