SCHEMBL6138709

SCHEMBL6138709

CCCC(=O)Oc1c(CN2CCN(c3ccccc3)CC2)ccc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 6/20 0.53
TSHR P16473 2/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALOX15 P16050 2/20 0.49
CYP2C19 P33261 1/20 0.48
PKM P14618 1/20 0.48
HTR7 P34969 1/20 0.47
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL7758478 0.85 LMNA (0.61) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8637764 0.84 LMNA (0.60) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7758537 0.82 MEN1 (0.57) LMNAKDM4EALDH1A1TSHRHTT
SCHEMBL8625965 0.81 MEN1 (0.61) LMNAKDM4EALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL8639764 0.81 MEN1 (0.56) LMNAKDM4EALDH1A1TSHRHTT
Hydrochloric Acid SCHEMBL6774991 0.81 LMNA (0.55) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7756367 0.81 MEN1 (0.55) LMNASMN1; SMN2KDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL6779307 0.80 LMNA (0.57) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8640761 0.80 MEN1 (0.60) LMNAKDM4EALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL8634672 0.80 MEN1 (0.54) LMNASMN1; SMN2KDM4EALDH1A1HTT

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-1277746-B1 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-05-11 EP disclosed
EP-1277746-A2 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions thereof Les Laboratoires Servier (FR) 2003-01-22 EP disclosed