SCHEMBL3719936

SCHEMBL3719936

O=CCc1ccc2nc(Oc3ccc(NCC4CC4)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.35
LTA4H P09960 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
SCN9A Q15858 8/20 0.33
ALOX5 P09917 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.32
NPY5R Q15761 1/20 0.32
PDE4B Q07343 1/20 0.32
P2RX3 P56373 1/20 0.31

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
SCHEMBL3728071 0.85 MET (0.33) METLTA4HACHEBACE1SCN9A
SCHEMBL3721863 0.84 MAPT (0.39) PDE4BP2RX3
SCHEMBL3719580 0.83 ACACB (0.38)
SCHEMBL3722548 0.83 MAPT (0.36) LTA4HSCN9AALOX5P2RX3
SCHEMBL3726251 0.79 SCN9A (0.33) SCN9AALOX5PDE4B
SCHEMBL3722876 0.78 ACACB (0.41) ALOX5
SCHEMBL3717738 0.78 TEC (0.39)
SCHEMBL3726328 0.77 ACACB (0.40)
Trifluoroacetic Acid SCHEMBL3802671 0.76 MTNR1A (0.45) SCN9A
SCHEMBL3720134 0.76 ALDH1A1 (0.48) PDE4B

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