SCHEMBL5592322

SCHEMBL5592322

CN1CCN(c2ccccc2CC2NC(C)(C)CN(c3ccc(C4(O)CCC4)cc3)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
KMT2A Q03164 3/20 0.33
HTR7 P34969 2/20 0.33
MEN1 O00255 2/20 0.33
BRD9 Q9H8M2 3/20 0.33
BRD4 O60885 2/20 0.33
BRPF1 P55201 2/20 0.33
SIGMAR1 Q99720 5/20 0.32
HTR1A P08908 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 3/20 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
SCHEMBL5592325 0.86 NCF1 (0.36) NCF1KMT2AHTR7MEN1BRD9
SCHEMBL5592316 0.84 DRD2 (0.37) NCF1KMT2AMEN1BRD9BRD4
SCHEMBL1738179 0.81 ROCK2 (0.39) NCF1KMT2AHTR7MEN1BRD9
SCHEMBL1738872 0.81 ROCK2 (0.39) NCF1KMT2AHTR7MEN1BRD9
SCHEMBL1738835 0.81 ROCK2 (0.39) NCF1KMT2AHTR7MEN1BRD9
SCHEMBL5592394 0.80 MEN1 (0.35) NCF1KMT2AHTR7MEN1BRD9
SCHEMBL1737234 0.79 ROCK2 (0.39) NCF1KMT2AHTR7MEN1BRD9
SCHEMBL1737818 0.79 ROCK2 (0.39) NCF1KMT2AHTR7MEN1BRD9
SCHEMBL1738621 0.79 ROCK2 (0.39) NCF1KMT2AHTR7MEN1BRD9
SCHEMBL5592174 0.78 SLC6A2 (0.35) NCF1KMT2AMEN1BRD9BRD4

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