SCHEMBL8809441

SCHEMBL8809441

Cc1cc(=O)n2c(C)c(CCN3CCC(c4csc5cc(F)ccc45)CC3)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.39
SLC6A4 P31645 6/20 0.39
CTSS P25774 2/20 0.38
HTR2A P28223 9/20 0.36
HTR1D P28221 4/20 0.36
HTR1A P08908 4/20 0.36
HTR2C P28335 3/20 0.36
KCNH2 Q12809 3/20 0.36
HTR1B P28222 3/20 0.36
DRD4 P21917 3/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
PMP22 Q01453 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
HTR7 P34969 2/20 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
SCHEMBL8809492 0.86 DRD2 (0.40) DRD2SLC6A4CTSSHTR2AHTR1D
SCHEMBL8809322 0.86 DRD2 (0.41) DRD2SLC6A4CTSSHTR2AHTR1D
SCHEMBL8810382 0.81 DRD2 (0.57) DRD2SLC6A4HTR2AHTR1DHTR1A
SCHEMBL8810833 0.78 DRD2 (0.43) DRD2SLC6A4CTSSHTR2AHTR1D
SCHEMBL8810281 0.77 DYRK1A (0.41) DRD2SLC6A4CTSSHTR2AHTR1D
SCHEMBL8812864 0.73 HTR1D (0.45) DRD2SLC6A4HTR2AHTR1DHTR1A
SCHEMBL8810725 0.73 DRD2 (0.39) DRD2SLC6A4CTSSHTR2AHTR1D
SCHEMBL8917783 0.72 CTSS (0.50) DRD2SLC6A4CTSSHTR1DHTR1B
SCHEMBL8810867 0.70 DRD2 (0.58) DRD2SLC6A4HTR2AHTR1DHTR1A
SCHEMBL8809254 0.69 DRD2 (0.57) DRD2SLC6A4HTR2AHTR1DHTR1A

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