SCHEMBL9215573

SCHEMBL9215573

CN1CCCC(C[S+]([O-])c2nc3cccnc3s2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
CHRM1 P11229 4/20 0.37
CHRM2 P08172 3/20 0.37
ADRA2A P08913 2/20 0.37
DRD1 P21728 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
ADRA1A P35348 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CHRM3 P20309 2/20 0.37
HRH1 P35367 2/20 0.37
ABCB11 O95342 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL9215626 0.77 CHRNB4 (0.42) ADRA2A
SCHEMBL9212260 0.76 PDK1 (0.47) KCNH2CHRM1CHRM2ADRA2ADRD1
SCHEMBL9208357 0.75 PDK1 (0.38) HTR2CHTR1APOLBLTA4HPDK1
SCHEMBL9207415 0.74 DRD2 (0.38) ADRA2ADRD1SLC6A2ADRA1AOPRM1
SCHEMBL9211637 0.70 POLB (0.39) POLBPDK1NPC1
SCHEMBL9217319 0.70 POLB (0.43) LMNATP53POLBPDK1NPC1
SCHEMBL9213476 0.70 PDK1 (0.36) POLBPDK1NPC1
SCHEMBL9214629 0.70 GAA (0.40) LMNATSHRPOLBLTA4HPDK1
SCHEMBL9215779 0.69 PDK1 (0.38) TSHRPOLBLTA4HPDK1NPC1
SCHEMBL9216304 0.68 PDK1 (0.50) LMNATP53TSHRPOLBPDK1

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 4 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
US-5079255-A Nontoxic, acid stability MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed