SCHEMBL4012569

SCHEMBL4012569

COCCOc1ncc(C(=O)N[C@H](C(O)I)C(C)(C)C)cc1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.56
TACR2 P21452 1/20 0.56
CTSA P10619 6/20 0.49
ABL1 P00519 1/20 0.43
CNR2 P34972 1/20 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
SCHEMBL2702570 0.85 CNR1 (0.58) CNR1TACR2CTSAABL1CNR2
SCHEMBL3846700 0.80 CNR1 (0.57) CNR1TACR2CTSAABL1CNR2
SCHEMBL2703081 0.79 CNR1 (0.65) CNR1TACR2CTSAABL1CNR2
SCHEMBL1376961 0.79 CNR1 (0.67) CNR1TACR2CTSACNR2
SCHEMBL2702655 0.79 CNR1 (0.59) CNR1TACR2CTSAABL1CNR2
SCHEMBL1377692 0.79 CNR1 (0.59) CNR1TACR2CTSAABL1CNR2
SCHEMBL2703056 0.78 CNR1 (0.63) CNR1TACR2CTSAABL1CNR2
SCHEMBL3845638 0.78 CNR1 (0.58) CNR1TACR2CTSAABL1CNR2
SCHEMBL2704311 0.77 CNR1 (0.56) CNR1TACR2CTSAABL1CNR2
SCHEMBL1377601 0.76 CNR1 (0.80) CNR1TACR2CNR2

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-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 EP claimed
WO-2008040651-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 WO claimed
EP-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 EP disclosed
WO-2008040651-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 WO disclosed