SCHEMBL7307975

SCHEMBL7307975

O=[N+]([O-])c1ccc(C=CCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
ADRA2A P08913 2/20 0.43
ADRA2C P18825 2/20 0.43
SLC6A4 P31645 2/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL7307971 1.00 SETD7 (0.49) SETD7SMN1; SMN2ALDH1A1HTTADRA2A
SCHEMBL9591365 0.95 SETD7 (0.45) SETD7SMN1; SMN2ALDH1A1HTTADRA2A
SCHEMBL9591372 0.95 SETD7 (0.45) SETD7SMN1; SMN2ALDH1A1HTTADRA2A
SCHEMBL7300577 0.88 MAPT (0.47) SETD7SMN1; SMN2ALDH1A1HTTDRD2
SCHEMBL7300581 0.88 MAPT (0.47) SETD7SMN1; SMN2ALDH1A1HTTDRD2
Hydrochloric Acid SCHEMBL7212538 0.88 ALDH1A1 (0.52) SETD7SMN1; SMN2ALDH1A1HTTADRA2A
Hydrochloric Acid SCHEMBL7212544 0.88 ALDH1A1 (0.52) SETD7SMN1; SMN2ALDH1A1HTTADRA2A
Hydrochloric Acid SCHEMBL7212388 0.87 MAPT (0.46) SETD7SMN1; SMN2ALDH1A1HTTDRD2
Hydrochloric Acid SCHEMBL7212393 0.87 MAPT (0.46) SETD7SMN1; SMN2ALDH1A1HTTDRD2
SCHEMBL7306252 0.85 SETD7 (0.59) SETD7ALDH1A1HTTADRA2AADRA2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP claimed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed