SCHEMBL5014698

SCHEMBL5014698

[N-]=[N+]=C(C=O)C12CCC(c3ccccc3)(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
AKR1C1 Q04828 1/20 0.33
LMNA P02545 1/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2453458 0.74 PNMT (0.46) PNMTAKR1C1DGAT1SOAT1MEN1
SCHEMBL5012327 0.72 KDM4E (0.33)
SCHEMBL2452042 0.71 PNMT (0.59) PNMTAKR1C1LMNADGAT1SOAT1
SCHEMBL12302201 0.68 PNMT (0.55) PNMTAKR1C1LMNADGAT1SOAT1
SCHEMBL2453099 0.68 PNMT (0.55) PNMTAKR1C1LMNADGAT1SOAT1
SCHEMBL2447393 0.67 PNMT (0.54) PNMTAKR1C1MEN1CYP2C9KMT2A
SCHEMBL2452508 0.66 PNMT (0.52) PNMTAKR1C1LMNADGAT1SOAT1
SCHEMBL15897778 0.65 PNMT (0.55) PNMTAKR1C1MEN1CYP2C9KMT2A
SCHEMBL20743587 0.65 PNMT (0.50) PNMTAKR1C1LMNADGAT1SOAT1
SCHEMBL1502311 0.65 MEN1 (0.51) PNMTAKR1C1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966221-A1 PYRIMIDO- [4, 5-]-OXAZINES FOR USE AS DGAT INHIBITORS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071966-A1 PYRIMIDO- [4, 5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed