SCHEMBL9801673

SCHEMBL9801673

CCN1CCN(CC(C)O)CC1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC6A3 Q01959 3/20 0.32
KCNH2 Q12809 2/20 0.32
BRD4 O60885 1/20 0.31
DRD4 P21917 1/20 0.30

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
SCHEMBL277608 0.89 MEN1 (0.40) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL8680434 0.87 MEN1 (0.40) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL9801806 0.86 SIGMAR1 (0.38) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL20021310 0.85 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ACHRM1CYP2D6
SCHEMBL9801048 0.83 MAPK1 (0.38) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL9801281 0.83 MEN1 (0.38) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL9801723 0.82 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ACHRM1CYP2D6
SCHEMBL9801318 0.81 KDM4E (0.36) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL9801447 0.81 GAA (0.34) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL9801123 0.79 KDM4E (0.35) SIGMAR1MEN1KMT2ADRD2DRD3

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