SCHEMBL7300581

SCHEMBL7300581

O=[N+]([O-])c1ccc(C=CCN2CCC(=C3c4ccccc4CCc4ccccc43)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SETD7 Q8WTS6 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
LMNA P02545 1/20 0.41
PTAFR P25105 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CTSK P43235 1/20 0.40

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
SCHEMBL7300577 1.00 MAPT (0.47) MAPTSMN1; SMN2CASP3RAB9ASENP8
Hydrochloric Acid SCHEMBL7212393 0.99 MAPT (0.46) MAPTSMN1; SMN2CASP3RAB9ASENP8
Hydrochloric Acid SCHEMBL7212388 0.99 MAPT (0.46) MAPTSMN1; SMN2CASP3RAB9ASENP8
SCHEMBL7308575 0.88 FNTA (0.44) MAPTSMN1; SMN2CASP3RAB9ASENP8
SCHEMBL7308567 0.88 FNTA (0.44) MAPTSMN1; SMN2CASP3RAB9ASENP8
SCHEMBL7307971 0.88 SETD7 (0.49) MAPTSMN1; SMN2ALDH1A1HTTSETD7
SCHEMBL7307975 0.88 SETD7 (0.49) MAPTSMN1; SMN2ALDH1A1HTTSETD7
SCHEMBL9591365 0.83 SETD7 (0.45) MAPTSMN1; SMN2ALDH1A1HTTSETD7
SCHEMBL9591372 0.83 SETD7 (0.45) MAPTSMN1; SMN2ALDH1A1HTTSETD7
SCHEMBL7303180 0.82 SETD7 (0.48) MAPTALDH1A1SETD7LMNAPTAFR

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