SCHEMBL7757935

SCHEMBL7757935

COc1ccc(CN2CCN(CCCCl)CC2)c(OC(=O)c2ccccc2)c1OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.54
SLC29A1 Q99808 1/20 0.48
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CACNA1G O43497 1/20 0.46

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 SCHEMBL8639815 0.99 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7753782 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7757936 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7757485 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7756372 0.89 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7753771 0.89 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7758568 0.88 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL7758476 0.88 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL8638152 0.88 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL8635529 0.88 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4ELMNA

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