SCHEMBL9035211

SCHEMBL9035211

COc1ccc(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.60
SIGMAR1 Q99720 2/20 0.57
DRD2 P14416 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 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
TSHR P16473 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 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 SCHEMBL7218659 0.99 SETD7 (0.59) SETD7SIGMAR1DRD2HTR2AHTR2C
SCHEMBL9036519 0.87 SETD7 (0.67) SETD7SIGMAR1DRD2HTR2AHTR2C
SCHEMBL9035031 0.86 SIGMAR1 (0.60) SETD7SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7212562 0.85 SIGMAR1 (0.59) SETD7SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7218936 0.85 SETD7 (0.65) SETD7SIGMAR1DRD2HTR2AHTR2C
SCHEMBL9035852 0.85 SETD7 (0.68) SETD7SIGMAR1DRD2HTR2AHTR2C
SCHEMBL7212383 0.84 SETD7 (0.56) SETD7DRD2HTR2AHTR2CHTR2B
SCHEMBL9034769 0.84 SETD7 (0.62) SETD7SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7213868 0.84 SETD7 (0.66) SETD7SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7212374 0.83 SETD7 (0.55) 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