SCHEMBL5592283

SCHEMBL5592283

O=C(OCc1ccccc1)N1CCN(c2ccc(C3CCOCC3)cc2)C(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
F10 P00742 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TMEM97 Q5BJF2 8/20 0.42
SIGMAR1 Q99720 8/20 0.42
HTR1A P08908 3/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42

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
SCHEMBL5836154 0.84 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5592314 0.81 MEN1 (0.51) MEN1KMT2ANPSR1F10SMN1; SMN2
SCHEMBL5592160 0.81 USP2 (0.42) MEN1KMT2ANPSR1F10SMN1; SMN2
SCHEMBL6323472 0.81 MEN1 (0.48) MEN1KMT2ANPSR1F10SMN1; SMN2
SCHEMBL1949475 0.81 HPGD (0.56) MEN1KMT2ANPSR1F10SMN1; SMN2
SCHEMBL3767269 0.79 TMEM97 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5592397 0.78 TMEM97 (0.47) MEN1KMT2ANPSR1F10SMN1; SMN2
SCHEMBL4691214 0.77 HRH3 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HRH1
SCHEMBL5592390 0.76 TMEM97 (0.46) MEN1KMT2ANPSR1F10SMN1; SMN2
SCHEMBL19960792 0.75 SMN1; SMN2 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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