Sugi Predict

Sugi Predict / Compounds / SCHEMBL4014970

SCHEMBL4014970

SCHEMBL4014970

C#Cc1ncc(C(=O)NC[C@](C)(O)C2CC2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 16/20 0.51
▸ CNR2 P34972 3/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL4012889 0.86 CNR1 (0.47) CNR1CNR2
SCHEMBL3924890 0.86 CNR1 (0.52) CNR1CNR2EGLN1NPC1RAB9A
SCHEMBL3915821 0.86 CNR1 (0.52) CNR1CNR2EGLN1NPC1RAB9A
SCHEMBL4011940 0.83 CNR1 (0.50) CNR1CNR2
SCHEMBL4012691 0.83 CNR1 (0.54) CNR1CNR2NPC1RAB9A
SCHEMBL4010097 0.82 CNR1 (0.44) CNR1CNR2EGLN1NPC1RAB9A
SCHEMBL4014934 0.82 CNR1 (0.51) CNR1CNR2
SCHEMBL4013119 0.82 CNR1 (0.53) CNR1CNR2NPC1RAB9A
SCHEMBL4162485 0.81 CNR1 (0.48) CNR1CNR2
SCHEMBL4013487 0.81 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