SCHEMBL7307005

SCHEMBL7307005

COc1cc(C=CCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)ccc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
SETD7 Q8WTS6 1/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
VCP P55072 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 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
SCHEMBL7307000 1.00 APP (0.46) APPJUNNFKB1SETD7BCHE
Hydrochloric Acid SCHEMBL9134059 0.99 APP (0.45) APPJUNNFKB1SETD7BCHE
Hydrochloric Acid SCHEMBL9134058 0.99 APP (0.45) APPJUNNFKB1SETD7BCHE
SCHEMBL7300478 0.86 SETD7 (0.48) APPSETD7ACHEKMT2AMEN1
SCHEMBL7300471 0.86 SETD7 (0.48) APPSETD7ACHEKMT2AMEN1
Hydrochloric Acid SCHEMBL9133561 0.85 SETD7 (0.47) APPSETD7ACHEKMT2AMEN1
Hydrochloric Acid SCHEMBL9133568 0.85 SETD7 (0.47) APPSETD7ACHEKMT2AMEN1
SCHEMBL7298141 0.85 SETD7 (0.49) SETD7KMT2AMEN1GAAMAPT
SCHEMBL7298137 0.85 SETD7 (0.49) SETD7KMT2AMEN1GAAMAPT
SCHEMBL7304872 0.84 SETD7 (0.46) SETD7KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP claimed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US claimed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed