SCHEMBL9455461

SCHEMBL9455461

CC(=O)Nc1cccc(CCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.53
HTR1A P08908 5/20 0.44
DRD2 P14416 5/20 0.44
HTR7 P34969 4/20 0.44
OPRM1 P35372 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
DRD3 P35462 3/20 0.44
HTR2B P41595 2/20 0.44
KCNH2 Q12809 2/20 0.44
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 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 SCHEMBL7212338 0.99 SETD7 (0.52) SETD7HTR1ADRD2HTR7OPRM1
SCHEMBL7213858 0.89 SETD7 (0.56) SETD7HTR1ADRD2HTR7OPRM1
Hydrochloric Acid SCHEMBL9455483 0.85 SETD7 (0.56) SETD7HTR1ADRD2HTR7OPRM1
SCHEMBL7212631 0.81 SETD7 (0.56) SETD7HTR1ADRD2HTR7OPRM1
SCHEMBL7212501 0.80 SETD7 (0.50) SETD7HTR1ADRD2HTR7OPRM1
SCHEMBL9035029 0.79 SETD7 (0.67) SETD7HTR1ADRD2HTR7OPRM1
Hydrochloric Acid SCHEMBL7212855 0.78 SETD7 (0.66) SETD7HTR1ADRD2HTR7OPRM1
Hydrochloric Acid SCHEMBL7217676 0.78 SIGMAR1 (0.57) SETD7HTR1ADRD2HTR7OPRM1
SCHEMBL11601095 0.76 SETD7 (0.67) SETD7HTR1ADRD2HTR7OPRM1
SCHEMBL9036131 0.76 SETD7 (0.70) SETD7HTR1ADRD2HTR7OPRM1

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

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