SCHEMBL9215426

SCHEMBL9215426

CN1CCCC1CCSc1nc2cccnc2s1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
ADRA2A P08913 1/20 0.43
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNB1 P11230 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB3 Q05901 2/20 0.42
CHRNA1 P02708 1/20 0.40
CHRNA7 P36544 1/20 0.40

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 0.78 CHRNB4 (0.42) ADRA2ACHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL9217936 0.78 CHRNB2 (0.41) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL9212260 0.76 PDK1 (0.47) PDK1ADRA2A
SCHEMBL9218193 0.76 CHRNB4 (0.43) ADRA2ACHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL9744781 0.75 TMEM97 (0.60)
SCHEMBL9217289 0.74 PDK1 (0.50) PDK1
SCHEMBL7160856 0.73 ADRA2A (0.47) ADRA2ACHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL9206848 0.72 PDK1 (0.50) PDK1
SCHEMBL9208015 0.71 PDK1 (0.63) PDK1
SCHEMBL9275611 0.71 PDK1 (0.58) PDK1

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