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Sugi Predict / Compounds / SCHEMBL4014670

SCHEMBL4014670

SCHEMBL4014670

C[C@](O)(CNC(=O)c1cnc(N2CCCCCC2)c(-c2ccc(Cl)cc2)n1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.48
▸ SCN2A Q99250 2/20 0.44
▸ SCN10A Q9Y5Y9 2/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ CXCR3 P49682 1/20 0.39

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
SCHEMBL4012987 0.91 CNR1 (0.47) CNR1SCN2ASCN10ACNR2CXCR3
SCHEMBL4013997 0.90 CNR1 (0.49) CNR1SCN2ASCN10ACNR2CXCR3
SCHEMBL4162485 0.89 CNR1 (0.48) CNR1CNR2CXCR3
SCHEMBL4168753 0.87 CNR1 (0.48) CNR1CNR2CXCR3
SCHEMBL3924890 0.83 CNR1 (0.52) CNR1CNR2
SCHEMBL3915821 0.83 CNR1 (0.52) CNR1CNR2
SCHEMBL4014970 0.81 CNR1 (0.51) CNR1CNR2
SCHEMBL4011940 0.80 CNR1 (0.50) CNR1CNR2
SCHEMBL4012691 0.80 CNR1 (0.54) CNR1SCN2ASCN10ACNR2
SCHEMBL4014934 0.79 CNR1 (0.51) CNR1CNR2

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-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