SCHEMBL7213858

SCHEMBL7213858

CC(=O)Nc1ccc(CCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.56
HTR2A P28223 5/20 0.52
HTR2C P28335 4/20 0.52
HTR1A P08908 3/20 0.52
DRD2 P14416 2/20 0.52
HTR7 P34969 2/20 0.52
DRD3 P35462 2/20 0.52
HTR2B P41595 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 1/20 0.47

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 SCHEMBL9455483 0.96 SETD7 (0.56) SETD7HTR2AHTR2CHTR1ADRD2
SCHEMBL9455461 0.89 SETD7 (0.53) SETD7HTR2AHTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL7212338 0.88 SETD7 (0.52) SETD7HTR2AHTR2CHTR1ADRD2
SCHEMBL7212631 0.83 SETD7 (0.56) SETD7HTR2AHTR2CHTR1ADRD2
SCHEMBL9035029 0.82 SETD7 (0.67) SETD7HTR2AHTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL7212855 0.81 SETD7 (0.66) SETD7HTR2AHTR2CHTR1ADRD2
SCHEMBL7212501 0.80 SETD7 (0.50) SETD7HTR2AHTR2CHTR1ADRD2
SCHEMBL7435858 0.80 SETD7 (0.62) SETD7HTR2AHTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL7218758 0.79 SETD7 (0.60) SETD7HTR2AHTR2CHTR1ADRD2
SCHEMBL11601095 0.79 SETD7 (0.67) SETD7HTR2AHTR2CHTR1ADRD2

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 7 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
US-RE38257-E1 Piperdine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 2003-09-23 US disclosed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
US-5393890-A Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1995-02-28 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