SCHEMBL9217289

SCHEMBL9217289

CN1CCN(CCCSc2nc3cccnc3s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
TMEM97 Q5BJF2 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9206848 0.81 PDK1 (0.50) PDK1ALDH1A1
SCHEMBL9218365 0.78 PDK1 (0.56) PDK1ALDH1A1
SCHEMBL13797766 0.75 CCR3 (0.43) TMEM97HTR1ADRD2DRD1DRD5
SCHEMBL9208015 0.74 PDK1 (0.63) PDK1HTR1AHTR2AALDH1A1
SCHEMBL9215426 0.74 PDK1 (0.46) PDK1
SCHEMBL9636326 0.74 SLC6A9 (0.58) PDK1ALDH1A1
SCHEMBL9275611 0.74 PDK1 (0.58) PDK1HTR1AHTR2AALDH1A1
SCHEMBL9207415 0.74 DRD2 (0.38) PDK1TMEM97HRH3HTR1ADRD2
SCHEMBL14761508 0.74 DRD2 (0.68) TMEM97HTR1ADRD2DRD1DRD5
SCHEMBL9209063 0.74 PDK1 (0.45) PDK1HTR1AHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405976-B1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA CO (JP) 1995-04-05 EP disclosed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US disclosed
US-5141946-A Antisecretory agents; acid resistance MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed