SCHEMBL8831402

SCHEMBL8831402

Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCCCBr

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.54
PSEN2 P49810 7/20 0.54
APH1B Q8WW43 7/20 0.54
NCSTN Q92542 7/20 0.54
APH1A Q96BI3 7/20 0.54
PSENEN Q9NZ42 7/20 0.54
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
PTGER4 P35408 1/20 0.43
RAB9A P51151 1/20 0.41
ACLY P53396 2/20 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
SCHEMBL31609293 1.00 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8831384 0.92 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31490923 0.90 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8831768 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7653099 0.81 HDAC1 (0.43)
SCHEMBL1921483 0.80 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15480483 0.80 SIGMAR1 (0.52) TP53MAPTMAPK1
SCHEMBL30661726 0.80 SIGMAR1 (0.52) TP53MAPTMAPK1
SCHEMBL31609292 0.79 PER2 (0.48) MAPTMAPK1
SCHEMBL31609307 0.79 RORA (0.50)

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
CN-1050604-C Compound with antipsychotic effect MEIJI SEIKA KABUSHIKA KAISHA (JP) 2000-03-22 CN disclosed
US-5599815-A SIDE EFFECT REDUCTION MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-02-04 US disclosed
CN-1103534-A Compound with antipsychotic effect MEIJI SEIKA CO (JP) 1995-06-07 CN disclosed
EP-0635506-A1 COMPOUND WITH ANTIPSYCHOTIC EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-01-25 EP disclosed