SCHEMBL5605518

SCHEMBL5605518

c1ccc(-c2ccc(CNCCCN3CCNCC3)cc2)cc1.c1ccc(COc2ccc(CNCCCN3CCN(CCCNCc4ccc(OCc5ccccc5)c(OCc5ccccc5)c4)CC3)cc2OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
BCHE P06276 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44
NPY2R P49146 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2447006 0.89 SLC2A1 (0.60) SLC2A1KMT2AMEN1ATMBCHE
SCHEMBL5595495 0.84 CYP3A4 (0.55) SMN1; SMN2
SCHEMBL2443705 0.78 DPP7 (0.57) SMN1; SMN2
SCHEMBL5595494 0.75 KDM4E (0.58) KDM4E
SCHEMBL14860185 0.75 MAPK1 (0.63) KMT2AMEN1KDM4ELMNAHTT
SCHEMBL8315122 0.74 ALDH1A1 (0.62) KMT2AMEN1LMNAHTT
SCHEMBL2444736 0.73 DPP7 (0.69) KMT2AMEN1
SCHEMBL5604920 0.73 SLC6A4 (0.64) NPY1R
SCHEMBL10702781 0.72 SLC2A1 (0.69) SLC2A1KMT2AMEN1ATMBCHE
SCHEMBL31241513 0.72 CHRM2 (0.52) KMT2AMEN1BCHEKDM4ELMNA

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-1809288-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-07-25 EP disclosed
WO-2006051489-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-18 WO disclosed