SCHEMBL6184871

SCHEMBL6184871

O=C(CN1CCN(c2cnccn2)CC1)C1CC(c2ccc(Cl)cc2)=CCN1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
POLB P06746 1/20 0.44
DRD4 P21917 3/20 0.39
DRD2 P14416 3/20 0.39
SLC6A7 Q99884 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
PKM P14618 2/20 0.37
DRD3 P35462 1/20 0.37
OPRM1 P35372 1/20 0.36
PARP1 P09874 1/20 0.36
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
SORD Q00796 1/20 0.35

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
SCHEMBL6183115 0.86 MAPT (0.44) KDM4EPOLBDRD4DRD2SLC6A7
SCHEMBL4813430 0.75 NAMPT (0.49) KDM4EPOLBDRD4DRD2SLC6A7
SCHEMBL1462353 0.65 IGF1R (0.55) KDM4EPOLBDRD4DRD2SORD
SCHEMBL11082813 0.65 GFER (0.57) KDM4EPOLBSLC6A7
SCHEMBL11083771 0.64 HRH3 (0.62) DRD4DRD2HRH3DRD3
SCHEMBL5755134 0.64 GFER (0.44) KDM4EPOLBDRD4DRD2SLC6A7
SCHEMBL4808795 0.64 GFER (0.43) KDM4EPOLBDRD4DRD2SLC6A7
SCHEMBL10968173 0.62 TRPV1 (0.67) KDM4E
SCHEMBL5760744 0.62 KMT2A (0.49) KDM4EPOLBDRD4DRD2SLC6A7
SCHEMBL31029146 0.61 KDM4E (0.48) KDM4EPOLB

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