SCHEMBL8680434

SCHEMBL8680434

CC(O)CN1CCN(CC(C)O)C(C)C1.CC(O)CN1CCN(CC(C)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
SIGMAR1 Q99720 1/20 0.37
SLC6A3 Q01959 3/20 0.33
DRD4 P21917 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.98 MEN1 (0.40) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL9801281 0.88 MEN1 (0.38) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL9801673 0.87 SIGMAR1 (0.49) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL9801048 0.84 MAPK1 (0.38) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL9801806 0.84 SIGMAR1 (0.38) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL9801318 0.83 KDM4E (0.36) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL9801123 0.80 KDM4E (0.35) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL7095116 0.80
SCHEMBL13026696 0.79 KDM4E (0.38) MEN1KMT2ADRD2DRD3SLC6A3
SCHEMBL13026700 0.79 KDM4E (0.38) MEN1KMT2ADRD2DRD3SLC6A3

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-5709737-A AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES XEROX CORPORATION (US) 1998-01-20 US disclosed