SCHEMBL8555562

SCHEMBL8555562

c1ccc(N2CCN(Cc3ncsn3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.54
LMNA P02545 2/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
DRD3 P35462 6/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DRD2 P14416 6/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
CHRNA7 P36544 1/20 0.47
HTR7 P34969 1/20 0.47
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL8559788 0.85 MAPT (0.50) DRD4LMNARECQLKMT2ASMN1; SMN2
SCHEMBL8556503 0.84 SIGMAR1 (0.58) DRD4LMNAKMT2ADRD3ALDH1A1
SCHEMBL8555924 0.82 MAPT (0.53) DRD4LMNAKMT2AGAADRD3
SCHEMBL8558421 0.81 ALDH1A1 (0.55) DRD4LMNAKMT2ASMN1; SMN2DRD3
SCHEMBL8556657 0.80 MEN1 (0.51) DRD4KMT2ADRD3KDM4EALDH1A1
SCHEMBL8558558 0.77 MAPT (0.61) DRD4LMNARECQLKMT2ASMN1; SMN2
SCHEMBL8558370 0.76 ALDH1A1 (0.53) LMNAKMT2ASMN1; SMN2GAADRD3
SCHEMBL7481150 0.76 ALDH1A1 (0.41) KMT2ASMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL8557359 0.76 CXCR4 (0.43) KMT2ASMN1; SMN2GAAALDH1A1HTT
SCHEMBL8555816 0.74 SIGMAR1 (0.56) DRD4KMT2AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed