SCHEMBL3728069

SCHEMBL3728069

CC(N)c1ccc2nc(Oc3ccc(C(N)C4CC4)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
SCN9A Q15858 16/20 0.37
SCN10A Q9Y5Y9 4/20 0.34
PDE4B Q07343 1/20 0.33
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL3720364 0.83 NCF1 (0.38)
SCHEMBL3722359 0.82 ALOX5 (0.42) ALOX5SCN9ASCN10APDE4B
SCHEMBL3728075 0.81 SCN9A (0.35) ALOX5SCN9ASCN10A
SCHEMBL3720264 0.81 ALOX5 (0.40) ALOX5SCN9ASCN10A
SCHEMBL3717959 0.80 MAP4K4 (0.32) ALOX5SCN9ASCN10APDE4B
SCHEMBL3804254 0.79 TLR8 (0.39) SCN9ASCN10AKDM4C
SCHEMBL3720041 0.79 MAP4K4 (0.48) SCN9A
SCHEMBL3722382 0.79 ALOX5 (0.35) ALOX5SCN9ASCN10APDE4B
SCHEMBL3726203 0.78 PDE4B (0.41) ALOX5PDE4B
SCHEMBL3720908 0.78 ACACB (0.43)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed