SCHEMBL8558370

SCHEMBL8558370

C(=Cc1ccccc1)CN1CCN(Cc2ncsn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 7/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
CYP3A4 P08684 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 2/20 0.49
GMNN O75496 1/20 0.49
ABCB11 O95342 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL8668935 0.83 LMNA (0.55) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL8556503 0.79 SIGMAR1 (0.58) ALDH1A1LMNAKMT2ACYP3A4DRD2
SCHEMBL2579539 0.78 LMNA (0.72) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL8555562 0.76 DRD4 (0.54) ALDH1A1LMNAKMT2AGAADRD2
SCHEMBL6991083 0.72 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL613704 0.71 LTA4H (0.77) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL11036914 0.71 LTA4H (0.77) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL16226425 0.71 SMN1; SMN2 (0.62) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL16226424 0.71 SMN1; SMN2 (0.62) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL7261524 0.70 LMNA (0.62) ALDH1A1LMNAKMT2AMEN1CYP3A4

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-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-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed