SCHEMBL9035562

SCHEMBL9035562

O=C(CCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
SETD7 Q8WTS6 3/20 0.52
HTR1A P08908 3/20 0.52
DRD2 P14416 4/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
DRD3 P35462 3/20 0.49
HTR7 P34969 2/20 0.49
HRH1 P35367 2/20 0.49
HTR2C P28335 3/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ABCB11 O95342 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49

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 SCHEMBL7218929 0.99 SIGMAR1 (0.53) SIGMAR1SETD7HTR1ADRD2HTR2A
SCHEMBL9373592 0.93 DRD2 (0.58) SIGMAR1SETD7HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7212577 0.92 DRD2 (0.57) SIGMAR1SETD7HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7217662 0.91 SETD7 (0.57) SIGMAR1SETD7HTR1ADRD2HTR2A
SCHEMBL9035949 0.90 SETD7 (0.57) SIGMAR1SETD7HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7218913 0.89 KMT2A (0.57) SIGMAR1SETD7HTR1ADRD2HTR2A
SCHEMBL9035086 0.88 SETD7 (0.54) SIGMAR1SETD7HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7218948 0.87 SETD7 (0.53) SIGMAR1SETD7HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9034034 0.82 SETD7 (0.59) SETD7HTR1ADRD2HTR2AHTR2B
Cyproheptadine SCHEMBL18344553 0.82 HTR1A (0.66) SIGMAR1SETD7HTR1ADRD2HTR2A

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