Sugi Predict

Sugi Predict / Compounds / SCHEMBL4015183

SCHEMBL4015183

SCHEMBL4015183

CC(C)CCNc1ncc(C(=O)NC[C@](C)(O)C2CC2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 16/20 0.47
▸ CNR2 P34972 2/20 0.41
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NAMPT P43490 1/20 0.33

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
SCHEMBL4013119 0.86 CNR1 (0.53) CNR1CNR2RAB9ANPC1
SCHEMBL4011940 0.84 CNR1 (0.50) CNR1CNR2
SCHEMBL3915821 0.81 CNR1 (0.52) CNR1CNR2RAB9ANPC1
SCHEMBL3924890 0.81 CNR1 (0.52) CNR1CNR2RAB9ANPC1
SCHEMBL4014970 0.80 CNR1 (0.51) CNR1CNR2RAB9ANPC1
SCHEMBL2704360 0.79 CNR1 (0.50) CNR1RAB9A
SCHEMBL4162485 0.79 CNR1 (0.48) CNR1CNR2
SCHEMBL4012691 0.78 CNR1 (0.54) CNR1CNR2RAB9ANPC1
SCHEMBL4014934 0.78 CNR1 (0.51) CNR1CNR2
SCHEMBL4013487 0.77 CNR1 (0.50) 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