Sugi Predict

Sugi Predict / Compounds / SCHEMBL2299161

SCHEMBL2299161

SCHEMBL2299161

Clc1ccc(OCCC2CNC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.44
▸ SLC6A4 P31645 1/20 0.43
▸ SIGMAR1 Q99720 3/20 0.42
▸ MAOB P27338 2/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HRH3 Q9Y5N1 6/20 0.41

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
SCHEMBL1277145 0.84 SLC6A4 (0.41) SLC6A4MAOBLTA4HPTGS2
SCHEMBL4326032 0.83 NPY1R (0.50) NFE2L2SIGMAR1LTA4H
SCHEMBL935234 0.79 NPY1R (0.50) SLC6A4
SCHEMBL935709 0.79 NPY1R (0.50) SLC6A4
SCHEMBL30674540 0.79 NFE2L2 (0.70) NFE2L2HRH3
Formic Acid SCHEMBL1277213 0.78 PPARG (0.41) SLC6A4
SCHEMBL28283793 0.77 NPY1R (0.57) —
SCHEMBL1277158 0.76 SLC6A4 (0.44) SLC6A4
SCHEMBL9770319 0.76 DRD4 (0.59) HRH3
SCHEMBL1345118 0.73 MAOB (0.57) MAOBLTA4HPTGS2HRH3

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-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 — — EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 — — WO disclosed