SCHEMBL9035900

SCHEMBL9035900

c1ccc2c(c1)CCc1cccnc1C2=C1CCN(CCCCC2CCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.60
DRD2 P14416 2/20 0.60
CHRM2 P08172 1/20 0.60
HTR1A P08908 1/20 0.60
CHRM1 P11229 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRK1 P41145 1/20 0.60
HTR2B P41595 1/20 0.60
KCNH2 Q12809 1/20 0.60
PTAFR P25105 1/20 0.51
SLC6A15 Q9H2J7 1/20 0.51
DRD3 P35462 1/20 0.46

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
SCHEMBL7309692 0.88 SETD7 (0.51) HRH1DRD2CHRM2HTR1ACHRM1
Azatadine SCHEMBL3721 0.76 HRH1 (1.00) HRH1DRD2CHRM2HTR1ACHRM1
Azatadine SCHEMBL29746602 0.76 HRH1 (1.00) HRH1DRD2CHRM2HTR1ACHRM1
Azatadine SCHEMBL29363595 0.76 HRH1 (1.00) HRH1DRD2CHRM2HTR1ACHRM1
SCHEMBL7300338 0.76 SETD7 (0.64) HRH1DRD2CHRM2HTR1ACHRM1
SCHEMBL7306822 0.76 SETD7 (0.45) HRH1
SCHEMBL7300258 0.75 SETD7 (0.52) HRH1DRD2CHRM2HTR1ACHRM1
SCHEMBL7309778 0.75 SETD7 (0.66) HRH1DRD2CHRM2HTR1ACHRM1
SCHEMBL9034738 0.75 SETD7 (0.66) HRH1DRD2CHRM2HTR1ACHRM1
SCHEMBL9034364 0.75 SETD7 (0.66) HRH1DRD2CHRM2HTR1ACHRM1

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 3 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
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP claimed
US-5250681-A Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1993-10-05 US disclosed