SCHEMBL9801318

SCHEMBL9801318

CC(O)CN1CCN(CCN)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALOX15 P16050 1/20 0.33
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
KCNH2 Q12809 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNJ1 P48048 1/20 0.33
MAPK1 P28482 1/20 0.31
DRD4 P21917 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9801123 0.91 KDM4E (0.35) KDM4EMEN1KMT2ASIGMAR1DRD2
SCHEMBL9801048 0.85 MAPK1 (0.38) MEN1KMT2ASIGMAR1DRD2DRD3
SCHEMBL9801806 0.85 SIGMAR1 (0.38) KDM4EMEN1KMT2ASIGMAR1DRD2
SCHEMBL8406332 0.85 ALOX15 (0.34) KDM4EMEN1KMT2ASIGMAR1ALOX15
SCHEMBL277608 0.84 MEN1 (0.40) KDM4EMEN1KMT2ASIGMAR1DRD2
SCHEMBL8680434 0.83 MEN1 (0.40) KDM4EMEN1KMT2ASIGMAR1DRD2
SCHEMBL9801281 0.82 MEN1 (0.38) KDM4EMEN1KMT2ASIGMAR1DRD2
SCHEMBL9801673 0.81 SIGMAR1 (0.49) KDM4EMEN1KMT2ASIGMAR1DRD2
SCHEMBL9801045 0.81 L3MBTL1 (0.32) KDM4ESIGMAR1ALOX15SLC6A3
SCHEMBL18912885 0.81 ALOX15 (0.48) SIGMAR1ALOX15KCNH2KCNJ1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed