SCHEMBL5592249

SCHEMBL5592249

CN1CCN(c2ncccc2CC2NC(C)(C)CN(c3ccc(C4CCOCC4)cc3)C2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
CNR2 P34972 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
CHIA Q9BZP6 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
IDH1 O75874 2/20 0.31
PARP14 Q460N5 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
SCHEMBL5592394 0.87 MEN1 (0.35) HRH3
SCHEMBL5599159 0.86 ELANE (0.35) ELANECNR2EGLN1TNKS2CHIA
SCHEMBL5592307 0.84 HSD11B1 (0.36) ELANECHIA
SCHEMBL5165411 0.82 ROCK2 (0.38) ELANECNR2EGLN1CHIAHRH3
SCHEMBL5164538 0.81 ELANE (0.36) ELANECNR2EGLN1TNKS2CHIA
SCHEMBL5166374 0.81 ELANE (0.38) ELANECNR2EGLN1CHIAHRH3
SCHEMBL5758903 0.73 MCHR1 (0.38)
SCHEMBL6110811 0.72 ELANE (0.36) ELANECNR2TNKS2CHIA
SCHEMBL5592318 0.72 MEN1 (0.36) CNR2HRH3PARP14
SCHEMBL5210531 0.71 HRH3 (0.35) EGLN1HRH3PARP14

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-2007057742-A2 NOVEL PIPERAZINONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed