SCHEMBL8555321

SCHEMBL8555321

CN1CCN(c2ncsn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.42
HTR3A P46098 3/20 0.42
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8559854 0.80 HRH1 (0.37) TDP1USP2ALDH1A1CASP1MAPT
SCHEMBL8559247 0.80 DRD2 (0.46)
SCHEMBL8674633 0.79 LMNA (0.52) USP2ALDH1A1MAPT
SCHEMBL8557936 0.79 CHRNA7 (0.43) ALDH1A1CYP1A2MAPT
SCHEMBL8670927 0.77 DRD2 (0.42) MAPT
SCHEMBL8559178 0.76 MEN1 (0.46) TDP1ALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL8051844 0.76 MEN1 (0.53) USP2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL8671225 0.75 POLB (0.44) ALDH1A1
SCHEMBL81909 0.72 HRH4 (0.51) HRH4HTR3AUSP2ALDH1A1CYP1A2
SCHEMBL255331 0.71 MAPT (0.57) HRH4HTR3AALDH1A1MAPT

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 9 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
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO claimed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN disclosed
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