SCHEMBL7303176

SCHEMBL7303176

Nc1ccc(/C=C/CN2CCC(=C3c4ccccc4CCc4ccccc43)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.48
LTA4H P09960 1/20 0.43
PTAFR P25105 1/20 0.42
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CHRM2 P08172 3/20 0.40
HTR1A P08908 3/20 0.40
CHRM1 P11229 3/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
ADRA1A P35348 3/20 0.40
HRH1 P35367 3/20 0.40
OPRK1 P41145 3/20 0.40
HTR2B P41595 3/20 0.40
KCNH2 Q12809 3/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
DRD1 P21728 2/20 0.40
SLC6A2 P23975 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
SCHEMBL7303180 1.00 SETD7 (0.48) SETD7LTA4HPTAFRLMNAALDH1A1
Hydrochloric Acid SCHEMBL9245646 0.99 SETD7 (0.47) SETD7LTA4HPTAFRLMNAALDH1A1
Hydrochloric Acid SCHEMBL9245652 0.99 SETD7 (0.47) SETD7LTA4HPTAFRLMNAALDH1A1
SCHEMBL7302187 0.87 FNTA (0.46) SETD7LTA4HLMNAALDH1A1CHRM2
SCHEMBL7302193 0.87 FNTA (0.46) SETD7LTA4HLMNAALDH1A1CHRM2
SCHEMBL7436166 0.86 SETD7 (0.54) SETD7LTA4HLMNAALDH1A1CHRM2
SCHEMBL7433819 0.86 SETD7 (0.54) SETD7LTA4HLMNAALDH1A1CHRM2
Hydrochloric Acid SCHEMBL7212398 0.85 SETD7 (0.53) SETD7LTA4HLMNAALDH1A1CHRM2
Hydrochloric Acid SCHEMBL9455438 0.85 SETD7 (0.53) SETD7LTA4HLMNAALDH1A1CHRM2
Hydrochloric Acid SCHEMBL7212395 0.85 SETD7 (0.53) SETD7LTA4HLMNAALDH1A1CHRM2

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 6 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-5250681-A Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1993-10-05 US 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