SCHEMBL8625965

SCHEMBL8625965

COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(OC(=O)CCC(=O)O)c1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
ALDH1A1 P00352 5/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 5/20 0.51
RECQL P46063 1/20 0.50
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47

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 SCHEMBL8640761 0.99 MEN1 (0.60) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL7756367 0.89 MEN1 (0.55) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL7756349 0.89 MEN1 (0.58) MEN1KMT2AALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL8634672 0.88 MEN1 (0.54) MEN1KMT2AALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL8638875 0.88 MEN1 (0.57) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL7758537 0.88 MEN1 (0.57) MEN1KMT2AALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL8639764 0.87 MEN1 (0.56) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL7758489 0.86 MEN1 (0.66) MEN1KMT2AALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL8639957 0.85 MEN1 (0.65) MEN1KMT2AALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL6775091 0.85 MEN1 (0.61) MEN1KMT2AALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847999-A1 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-06-17 EP disclosed