SCHEMBL8810281

SCHEMBL8810281

CC(=O)Nc1nc(C)c(CCN2CCC(c3csc4cc(F)ccc34)CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
PDPK1 O15530 1/20 0.41
CTSS P25774 2/20 0.41
TRPV4 Q9HBA0 3/20 0.39
DRD2 P14416 5/20 0.39
SLC6A4 P31645 1/20 0.39
CCR2 P41597 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
OGA O60502 1/20 0.39
HTR2A P28223 4/20 0.38
HTR1A P08908 3/20 0.38
ADRA2A P08913 2/20 0.38
ADRA1D P25100 2/20 0.38
HTR2C P28335 2/20 0.38
ADRA1A P35348 2/20 0.38
HRH1 P35367 2/20 0.38
ADRA1B P35368 2/20 0.38
HTR6 P50406 2/20 0.38
KCNH2 Q12809 2/20 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
SCHEMBL8810833 0.83 DRD2 (0.43) CTSSDRD2SLC6A4HTR1DHTR1B
SCHEMBL8808749 0.81 HTR2A (0.60) DRD2SLC6A4HTR1DHTR1BHTR2A
SCHEMBL8809322 0.78 DRD2 (0.41) CTSSDRD2SLC6A4HTR1DHTR1B
SCHEMBL8809441 0.77 DRD2 (0.39) CTSSDRD2SLC6A4HTR1DHTR1B
SCHEMBL8917783 0.75 CTSS (0.50) CTSSDRD2SLC6A4HTR1DHTR1B
SCHEMBL8809492 0.73 DRD2 (0.40) CTSSDRD2SLC6A4HTR1DHTR1B
SCHEMBL8915757 0.72 CTSS (0.51) CTSSDRD2SLC6A4HTR1DHTR1B
SCHEMBL8916709 0.72 CTSS (0.49) CTSSDRD2SLC6A4HTR1DHTR1B
Hydrochloric Acid SCHEMBL8920486 0.71 CTSS (0.48) CTSSDRD2SLC6A4HTR1DHTR1B
Hydrochloric Acid SCHEMBL6897558 0.71 DRD2 (0.58) DRD2HTR2AHTR1AADRA2AHTR2C

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