SCHEMBL7753755

SCHEMBL7753755

CCN1CCN(Cc2ccc(OC)c(OC)c2OC(=O)N(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP2C19 P33261 1/20 0.54
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
SLC6A4 P31645 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.50
APOBEC3A P31941 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 SCHEMBL8642244 0.99 MEN1 (0.53) MEN1KMT2ACYP2C19CYP1A2CHRM2
SCHEMBL7757473 0.87 MEN1 (0.62) MEN1KMT2ACYP2C19KDM4EALDH1A1
SCHEMBL7757928 0.86 MEN1 (0.57) MEN1KMT2ACYP2C19CYP1A2CHRM2
Hydrochloric Acid SCHEMBL8637713 0.86 MEN1 (0.61) MEN1KMT2ACYP2C19KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8635539 0.85 MEN1 (0.56) MEN1KMT2ACYP2C19CYP1A2CHRM2
SCHEMBL7753746 0.83 MEN1 (0.54) MEN1KMT2ACYP2C19CYP1A2CHRM2
SCHEMBL7756383 0.83 MEN1 (0.54) MEN1KMT2ACYP2C19CYP1A2CHRM2
SCHEMBL20595548 0.83 CHRM2 (0.70) MEN1KMT2ACYP2C19CYP1A2CHRM2
Hydrochloric Acid SCHEMBL8634641 0.82 MEN1 (0.53) MEN1KMT2ACYP2C19CYP1A2CHRM2
Hydrochloric Acid SCHEMBL8654392 0.82 MEN1 (0.53) MEN1KMT2ACYP2C19CYP1A2CHRM2

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-0847999-B1 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-03-21 EP disclosed
EP-0847999-A1 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-06-17 EP disclosed