SCHEMBL9034258

SCHEMBL9034258

C1=Cc2ccccc2C(=C2CCN(CCOCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 4/20 0.60
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
TSHR P16473 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 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 SCHEMBL7218918 0.99 SETD7 (0.58) SETD7ALDH1A1HTTABCB11TP53
SCHEMBL9035029 0.83 SETD7 (0.67) SETD7ALDH1A1HTTABCB11TP53
SCHEMBL9718753 0.82 SETD7 (0.57) SETD7ALDH1A1HTTABCB11TP53
SCHEMBL9034546 0.82 SETD7 (0.64) SETD7ALDH1A1HTTABCB11TP53
Hydrochloric Acid SCHEMBL7212855 0.82 SETD7 (0.66) SETD7ALDH1A1HTTABCB11TP53
SCHEMBL9036131 0.82 SETD7 (0.70) SETD7ALDH1A1HTTABCB11TP53
SCHEMBL9034683 0.82 SETD7 (0.59) SETD7ALDH1A1HTTABCB11TP53
Hydrochloric Acid SCHEMBL9718774 0.81 SETD7 (0.56) SETD7ALDH1A1HTTABCB11TP53
Hydrochloric Acid SCHEMBL7212638 0.81 SETD7 (0.62) SETD7ALDH1A1HTTABCB11TP53
Hydrochloric Acid SCHEMBL7212357 0.81 SETD7 (0.68) SETD7ALDH1A1HTTABCB11TP53

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