SCHEMBL4786676

SCHEMBL4786676

O=C(c1ccc(-c2ccccc2)o1)N1CCc2cc(O)c(O)cc2C1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.77
ABCB1 P08183 10/20 0.66
PDE4D Q08499 5/20 0.64

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
SCHEMBL14103924 0.87 PDE4B (0.72) PDE4BABCB1PDE4D
SCHEMBL4785416 0.76 KMT2A (0.59) PDE4BABCB1
SCHEMBL20149733 0.75 PDE4B (0.65) PDE4BPDE4D
SCHEMBL28985612 0.73 ABCB1 (0.76) ABCB1
SCHEMBL4785886 0.72 HPGD (0.57)
SCHEMBL4787185 0.71 KMO (0.50) PDE4B
SCHEMBL4783781 0.71 CNR1 (0.60)
SCHEMBL31563594 0.71 ABCB1 (0.80) ABCB1
SCHEMBL8817555 0.70 CA1 (0.54)
SCHEMBL4739367 0.70 CA1 (0.62) PDE4BABCB1PDE4D

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-2008095852-A1 BRONCHORELAXING ARYLAMIDES RESPIRATORIUS AB (SE) 2008-08-14 WO disclosed