SCHEMBL9035372

SCHEMBL9035372

C1=Cc2ccccc2C(=C2CCN(CCCSc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.63
ALDH1A1 P00352 4/20 0.54
HTR1A P08908 3/20 0.54
DRD2 P14416 3/20 0.54
HTR2A P28223 3/20 0.54
HTR7 P34969 3/20 0.54
DRD3 P35462 3/20 0.54
HTR2B P41595 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
TSHR P16473 1/20 0.54
ADRA2B P18089 1/20 0.54

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 SCHEMBL7218754 0.99 SETD7 (0.62) SETD7ALDH1A1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7218994 0.95 SETD7 (0.64) SETD7ALDH1A1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7218682 0.91 SETD7 (0.58) SETD7ALDH1A1HTR1ADRD2HTR2A
SCHEMBL9036279 0.84 SETD7 (0.59) SETD7ALDH1A1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7218693 0.83 SETD7 (0.58) SETD7ALDH1A1HTR1ADRD2HTR2A
SCHEMBL9035194 0.81 SETD7 (0.64) SETD7ALDH1A1HTR1ADRD2HTR2A
SCHEMBL9035029 0.80 SETD7 (0.67) SETD7ALDH1A1HTR1ADRD2HTR2A
SCHEMBL6803898 0.80 SETD7 (0.71) SETD7ALDH1A1HTR1ADRD2HTR2A
SCHEMBL7218739 0.80 SETD7 (0.75) SETD7ALDH1A1HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7212715 0.80 SETD7 (0.63) SETD7ALDH1A1HTR1ADRD2HTR2A

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