SCHEMBL7308567

SCHEMBL7308567

O=[N+]([O-])c1ccc(/C=C/CN2CCC(=C3c4ccccc4CSc4ccccc43)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
CTSK P43235 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL7308575 1.00 FNTA (0.44) FNTAFNTBSMN1; SMN2ALDH1A1HTT
SCHEMBL7300581 0.88 MAPT (0.47) SMN1; SMN2ALDH1A1HTTFAAHMGLL
SCHEMBL7300577 0.88 MAPT (0.47) SMN1; SMN2ALDH1A1HTTFAAHMGLL
Hydrochloric Acid SCHEMBL7212393 0.87 MAPT (0.46) SMN1; SMN2ALDH1A1HTTFAAHMGLL
Hydrochloric Acid SCHEMBL7212388 0.87 MAPT (0.46) SMN1; SMN2ALDH1A1HTTFAAHMGLL
SCHEMBL7302193 0.85 FNTA (0.46) FNTAFNTBSMN1; SMN2ALDH1A1HTT
SCHEMBL7302187 0.85 FNTA (0.46) FNTAFNTBSMN1; SMN2ALDH1A1HTT
SCHEMBL7303847 0.85 FNTA (0.44) FNTAFNTBSMN1; SMN2ALDH1A1HTT
SCHEMBL7303850 0.85 FNTA (0.44) FNTAFNTBSMN1; SMN2ALDH1A1HTT
SCHEMBL7307975 0.81 SETD7 (0.49) SMN1; SMN2ALDH1A1HTTFAAHMGLL

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 3 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
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed