SCHEMBL20417954

SCHEMBL20417954

CN1CCCCNC(=O)CCCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.67
FKBP5 Q13451 1/20 0.67
OR51E2 Q9H255 1/20 0.56
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
PARP1 P09874 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 2/20 0.33
NEK2 P51955 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 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
SCHEMBL7359122 0.98 CRBN (0.64) CRBNFKBP5OR51E2KDM4EGAA
N-Methyl Pyrrolidine (Nmp) SCHEMBL6894131 0.94 OR51E2 (0.65) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL21452824 0.92 CRBN (0.54) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL20602673 0.82 CRBN (0.59) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL30123221 0.82
SCHEMBL4299448 0.82
SCHEMBL5542 0.82
SCHEMBL5899535 0.81 CRBN (0.57) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL28174316 0.80 CRBN (0.84) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL25430542 0.79 CRBN (0.94) CRBNFKBP5OR51E2KDM4EGAA

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
WO-2018136887-A1 COMPOUNDS TESARO, INC. (US) 2018-07-26 WO disclosed