SCHEMBL8831384

SCHEMBL8831384

Clc1ccc2c(c1)c1ccccc1n2CCCCBr

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.51
PSEN2 P49810 4/20 0.51
APH1B Q8WW43 4/20 0.51
NCSTN Q92542 4/20 0.51
APH1A Q96BI3 4/20 0.51
PSENEN Q9NZ42 4/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACLY P53396 2/20 0.49
CNR2 P34972 4/20 0.47
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL8831402 0.92 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31609293 0.92 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8831768 0.91 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28837130 0.85 FABP4 (0.51) CNR2FABP4FABP5MAOAMAOB
SCHEMBL351619 0.85 FABP4 (0.58) FABP4FABP5MAOAMAOB
SCHEMBL30479089 0.85 FABP4 (0.58) FABP4FABP5MAOAMAOB
SCHEMBL28952709 0.84 FABP4 (0.50) CNR2FABP4FABP5MAOAMAOB
SCHEMBL25354476 0.84 MAOA (0.59) FABP4FABP5MAOAMAOB
SCHEMBL4203950 0.84 MAOA (0.59) FABP4FABP5MAOAMAOB
SCHEMBL1472359 0.84 MAOA (0.59) FABP4FABP5MAOAMAOB

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