SCHEMBL16445720

SCHEMBL16445720

CC1CN(CC(O)CO)CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.41
PDK1 Q15118 1/20 0.41
KDM4E B2RXH2 2/20 0.38
KDM1A O60341 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DRD1 P21728 1/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL9801239 0.82 PDK1 (0.43) USP2PDK1KDM4EKDM1APRMT5
SCHEMBL11126468 0.78 ALDH1A1 (0.50) ATMMAPTPDK1KDM4EADRA2A
SCHEMBL18556758 0.78 PIK3CD (0.42) PDK1KDM4EKDM1AALDH1A1DRD1
SCHEMBL17828068 0.78 PIK3CD (0.42) PDK1KDM4EKDM1AALDH1A1DRD1
SCHEMBL20921432 0.78 PIK3CD (0.42) PDK1KDM4EKDM1AALDH1A1DRD1
SCHEMBL17948410 0.77
SCHEMBL26817757 0.77 PDK1 (0.44) PDK1KDM1ADRD1GLRA1
SCHEMBL932483 0.75 PDK1 (0.40) PDK1KDM4EKDM1ADRD1GLRA1
SCHEMBL6043875 0.74 KDM1A (0.47) PDK1KDM4EKDM1AALDH1A1DRD1
SCHEMBL2189609 0.73 ALDH1A1 (0.40) PDK1KDM4EKDM1AALDH1A1DRD1

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
WO-2015020967-A1 NBPT SOLUTIONS FOR PREPARING UREASE INHIBITED UREA FERTILIZERS PREPARED FROM N-SUBSTITUTED MORPHOLINES WEYERHAEUSER NR COMPANY (US) 2015-02-12 WO claimed
WO-2015020967-A1 NBPT SOLUTIONS FOR PREPARING UREASE INHIBITED UREA FERTILIZERS PREPARED FROM N-SUBSTITUTED MORPHOLINES WEYERHAEUSER NR COMPANY (US) 2015-02-12 WO disclosed