SCHEMBL5599159

SCHEMBL5599159

CN1CCN(c2ncccc2CC2NCCN(c3ccc(C4CCOCC4)cc3)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.35
CNR2 P34972 2/20 0.34
PARP14 Q460N5 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
CHIA Q9BZP6 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL5165411 0.86 ROCK2 (0.38) ELANECNR2CHIAEGLN1MAPT
SCHEMBL5592318 0.86 MEN1 (0.36) CNR2PARP14
SCHEMBL5592249 0.86 ELANE (0.34) ELANECNR2PARP14TNKS2CHIA
SCHEMBL5164538 0.84 ELANE (0.36) ELANECNR2TNKS2CHIAEGLN1
SCHEMBL5166374 0.84 ELANE (0.38) ELANECNR2CHIAEGLN1
SCHEMBL5592191 0.83 HSD11B1 (0.36) ELANECHIA
SCHEMBL5592384 0.80 CHIA (0.35) ELANECHIA
SCHEMBL5592285 0.79 ELANE (0.35) ELANECHIA
SCHEMBL5592387 0.78 TRPV4 (0.35) PARP14MAPT
SCHEMBL5758903 0.76 MCHR1 (0.38) MAPT

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