SCHEMBL9035949

SCHEMBL9035949

O=C(CCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.57
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 6/20 0.56
GFER P55789 1/20 0.55
SIGMAR1 Q99720 4/20 0.54
HTR1A P08908 5/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 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
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

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 SCHEMBL7218913 0.99 KMT2A (0.57) SETD7ALDH1A1KMT2AGFERSIGMAR1
Hydrochloric Acid SCHEMBL9034034 0.91 SETD7 (0.59) SETD7ALDH1A1KMT2AGFERHTR1A
Hydrochloric Acid SCHEMBL7211736 0.90 SETD7 (0.61) SETD7ALDH1A1KMT2AGFERSIGMAR1
SCHEMBL9035562 0.90 SIGMAR1 (0.54) SETD7ALDH1A1KMT2ASIGMAR1HTR1A
Hydrochloric Acid SCHEMBL7218929 0.89 SIGMAR1 (0.53) SETD7ALDH1A1KMT2AGFERSIGMAR1
SCHEMBL9718762 0.88 SETD7 (0.61) SETD7ALDH1A1KMT2ASIGMAR1HTR1A
SCHEMBL9035696 0.87 SETD7 (0.59) SETD7ALDH1A1KMT2ASIGMAR1HTR1A
Hydrochloric Acid SCHEMBL9035324 0.86 SETD7 (0.58) SETD7ALDH1A1KMT2AGFERSIGMAR1
SCHEMBL11602777 0.84 SETD7 (0.63) SETD7ALDH1A1KMT2AHTR1ASLC6A4
SCHEMBL9373592 0.83 DRD2 (0.58) SETD7KMT2ASIGMAR1HTR1ACHRM2

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