SCHEMBL5760744

SCHEMBL5760744

O=C(CN1CCN(c2cnccn2)CC1)N1CCC(c2cccc(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
DPP4 P27487 1/20 0.43
POLB P06746 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
HSD11B1 P28845 1/20 0.40
SLC6A9 P48067 1/20 0.40
AOC3 Q16853 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL5755275 0.86 KDM4E (0.50) KMT2AMEN1TSHRKDM4EPOLB
Hydrochloric Acid SCHEMBL4810213 0.85 KDM4E (0.49) KMT2AMEN1TSHRKDM4EPOLB
SCHEMBL4806920 0.78 MEN1 (0.46) KMT2AMEN1TSHRKDM4EPKM
SCHEMBL4813979 0.77 MEN1 (0.45) KMT2AMEN1TSHRKDM4EPKM
SCHEMBL11077598 0.75 ATM (0.51) KMT2AMEN1KDM4EALDH1A1SLC6A7
SCHEMBL3769016 0.73 DPP4 (0.44) KMT2AMEN1KDM4EDPP4DRD2
SCHEMBL3780579 0.73 HRH3 (0.44) KMT2AMEN1KDM4EDPP4DRD2
SCHEMBL3767504 0.72 KDM4E (0.45) KMT2AMEN1KDM4EDPP4DRD2
SCHEMBL5755134 0.71 GFER (0.44) KMT2AMEN1TSHRKDM4EDPP4
SCHEMBL4813430 0.71 NAMPT (0.49) KDM4EDPP4POLBDRD2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed