SCHEMBL9034261

SCHEMBL9034261

O=[N+]([O-])c1ccc(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.54
KDM4E B2RXH2 3/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KCNJ1 P48048 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPV6 Q9H1D0 1/20 0.48
ABCB11 O95342 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
HTR1A P08908 1/20 0.48
CHRM5 P08912 1/20 0.48

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 SCHEMBL7212354 0.99 SETD7 (0.53) SETD7KDM4EDRD2HTR2AHTR2C
SCHEMBL9035520 0.87 MEN1 (0.54) SETD7KDM4ESIGMAR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7213845 0.86 MEN1 (0.53) SETD7KDM4ESIGMAR1ALDH1A1LMNA
SCHEMBL7300886 0.86 SIGMAR1 (0.60) SETD7DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7212750 0.85 SIGMAR1 (0.59) SETD7DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7217881 0.84 SETD7 (0.57) SETD7DRD2HTR2AHTR2CHTR2B
SCHEMBL9035852 0.83 SETD7 (0.68) SETD7DRD2HTR2AHTR2CHTR2B
SCHEMBL9036519 0.82 SETD7 (0.67) SETD7KDM4EDRD2HTR2AHTR2C
SCHEMBL9034769 0.82 SETD7 (0.62) SETD7KDM4EDRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7213868 0.82 SETD7 (0.66) SETD7DRD2HTR2AHTR2CHTR2B

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
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP claimed