SCHEMBL4195045

SCHEMBL4195045

O=C(NN1CCOCC1)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
CNR1 P21554 2/20 0.56
CNR2 P34972 1/20 0.56
BACE1 P56817 1/20 0.54
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ALB P02768 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
F10 P00742 1/20 0.46
SERPINE1 P05121 1/20 0.46

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
SCHEMBL5258790 0.83 HTT (0.70) MEN1RAB9AKMT2ACNR1CNR2
SCHEMBL5261323 0.82 HTT (0.62) MEN1KMT2ACNR1CNR2POLB
SCHEMBL4204512 0.81 HTT (0.55) MEN1RAB9AKMT2ACNR1CNR2
SCHEMBL4200958 0.81 CNR2 (0.62) MEN1RAB9AKMT2ACNR1CNR2
SCHEMBL1308410 0.78 GFER (0.76) MEN1RAB9AKMT2ACNR1CNR2
SCHEMBL4186581 0.78 CNR1 (0.62) MEN1RAB9AKMT2ACNR1CNR2
SCHEMBL5258216 0.77 CNR1 (0.67) MEN1RAB9AKMT2ACNR1CNR2
SCHEMBL5236769 0.77 CNR1 (0.66) CNR1CNR2BACE1POLBLMNA
SCHEMBL5259884 0.77 CNR1 (0.73) MEN1RAB9AKMT2ACNR1CNR2
SCHEMBL5256886 0.76 TSHR (0.58) MEN1RAB9AKMT2ABACE1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO claimed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed