SCHEMBL7299683

SCHEMBL7299683

COc1ccc(C(=O)CCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.53
SIGMAR1 Q99720 1/20 0.48
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
SLC6A4 P31645 2/20 0.45
HTR7 P34969 2/20 0.45
HRH1 P35367 2/20 0.45
DRD3 P35462 2/20 0.45
HTR2B P41595 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
ABCB11 O95342 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL9034533 0.99 SETD7 (0.52) SETD7SIGMAR1DRD2DRD4ALDH1A1
SCHEMBL9034437 0.97 SETD7 (0.54) SETD7SIGMAR1DRD2DRD4ALDH1A1
Hydrochloric Acid SCHEMBL7212361 0.96 SETD7 (0.53) SETD7SIGMAR1DRD2DRD4ALDH1A1
SCHEMBL9035896 0.94 SIGMAR1 (0.54) SETD7SIGMAR1DRD2ALDH1A1POLB
Hydrochloric Acid SCHEMBL7212711 0.93 SIGMAR1 (0.53) SETD7SIGMAR1DRD2ALDH1A1HTR1A
SCHEMBL9591385 0.91 SETD7 (0.44) SETD7SIGMAR1DRD2DRD4ALDH1A1
SCHEMBL7212442 0.90 SETD7 (0.53) SETD7DRD2DRD4ALDH1A1POLB
SCHEMBL9036537 0.89 DRD2 (0.51) SETD7SIGMAR1DRD2DRD4ALDH1A1
SCHEMBL7299134 0.88 SETD7 (0.51) SETD7SIGMAR1DRD2ALDH1A1POLB
Hydrochloric Acid SCHEMBL7213794 0.88 SETD7 (0.53) SETD7DRD2DRD4ALDH1A1HTR1A

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-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
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed