SCHEMBL7212442

SCHEMBL7212442

COc1cc(C(=O)CCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.53
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SLC29A1 Q99808 7/20 0.45
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
SLC6A4 P31645 3/20 0.44
HTR2B P41595 3/20 0.44
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HRH1 P35367 2/20 0.44
DRD3 P35462 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CHRM3 P20309 2/20 0.44
CYP2C19 P33261 2/20 0.44
SCN1A P35498 2/20 0.44
MTOR P42345 2/20 0.44
SLC6A3 Q01959 2/20 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
SCHEMBL7299683 0.90 SETD7 (0.53) SETD7ALDH1A1HTTDRD2HTR2A
Hydrochloric Acid SCHEMBL9034533 0.89 SETD7 (0.52) SETD7ALDH1A1HTTDRD2HTR2A
SCHEMBL9034437 0.87 SETD7 (0.54) SETD7ALDH1A1HTTDRD2HTR2A
Hydrochloric Acid SCHEMBL7212361 0.87 SETD7 (0.53) SETD7ALDH1A1HTTDRD2HTR2A
SCHEMBL7212540 0.85 SETD7 (0.52) SETD7ALDH1A1HTTDRD2HTR2A
SCHEMBL9034771 0.85 HTR1A (0.61) SETD7ALDH1A1HTTDRD2HTR2A
SCHEMBL9035896 0.84 SIGMAR1 (0.54) SETD7ALDH1A1HTTDRD2HTR2A
Hydrochloric Acid SCHEMBL7212711 0.83 SIGMAR1 (0.53) SETD7ALDH1A1HTTTAAR1DRD2
SCHEMBL7218874 0.83 SETD7 (0.58) SETD7ALDH1A1HTTDRD2HTR2A
Hydrochloric Acid SCHEMBL9034034 0.82 SETD7 (0.59) SETD7ALDH1A1HTTDRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP claimed
US-RE38257-E1 Piperdine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 2003-09-23 US disclosed