SCHEMBL6183115

SCHEMBL6183115

O=C(CN1CCN(c2cnccn2)CC1)C1CC(c2ccc(Cl)c(C(F)(F)F)c2)=CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
DRD4 P21917 2/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.36
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A7 Q99884 1/20 0.34
HTR4 Q13639 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL6184871 0.86 KDM4E (0.44) DRD2DRD3DRD4KDM4EPOLB
SCHEMBL4807294 0.78 MAPT (0.46) MAPTLMNAALDH1A1GAADRD2
SCHEMBL5759230 0.74 ALDH1A1 (0.43) MAPTLMNAALDH1A1DRD4TSHR
SCHEMBL186236 0.69 TRPV1 (0.39) MAPTLMNAALDH1A1GAAP2RX7
SCHEMBL4814062 0.65 ALDH1A1 (0.48) MAPTLMNAALDH1A1GAATSHR
SCHEMBL3775676 0.63 MAPT (0.47) MAPTLMNAALDH1A1GAATP53
SCHEMBL4813430 0.62 NAMPT (0.49) DRD2DRD4KDM4EPOLBSLC6A7
SCHEMBL4812798 0.62 JAK1 (0.41) MAPTLMNAALDH1A1GAADRD4
SCHEMBL10528092 0.61 FDPS (0.36)
SCHEMBL4815951 0.61 SLC6A7 (0.41) MAPTLMNAALDH1A1GAADRD2

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-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