SCHEMBL3725359

SCHEMBL3725359

CC(=O)c1ccc2nc(Oc3ccc(OC(C)C)cn3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.49
ACACB O00763 9/20 0.47
ACACA Q13085 5/20 0.45
SCN9A Q15858 8/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
HPGDS O60760 1/20 0.38

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
SCHEMBL3724294 0.88 PDE4B (0.55) PDE4BACACBACACASCN9A
SCHEMBL3721868 0.83 PDE4B (0.48) PDE4BSCN9A
SCHEMBL3718481 0.82 PDE4B (0.54) PDE4BSCN9ASCN10AHPGDS
SCHEMBL3719548 0.82 PDE4B (0.48) PDE4BSCN9A
SCHEMBL3720457 0.82 PDE4B (0.48) PDE4BACACBACACA
SCHEMBL3717769 0.82 PDE4B (0.48) PDE4B
SCHEMBL3719630 0.81 ACACB (0.60) ACACBACACA
SCHEMBL3721089 0.80 PDE4B (0.53) PDE4BACACBACACASCN9A
SCHEMBL3716835 0.80 PDE4B (0.53) PDE4BSCN9AHPGDS
SCHEMBL3720015 0.79 PDE4B (0.46) PDE4BSCN9A

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