SCHEMBL9526223

SCHEMBL9526223

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(OC2CCCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.68
PDE4D Q08499 12/20 0.68
PDE4A P27815 10/20 0.68
PDE4C Q08493 10/20 0.68
GFER P55789 1/20 0.53
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47

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
SCHEMBL15532207 0.99 PDE4B (0.69) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL7335911 0.82 PDE4D (0.98) PDE4BPDE4DPDE4APDE4C
Piclamilast SCHEMBL26573 0.81 PDE4D (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL7417915 0.81 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL7421422 0.80 PDE4D (0.79) PDE4BPDE4DPDE4APDE4C
SCHEMBL69331 0.79 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL72555 0.78 PDE4D (0.73) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL7542303 0.78 GFER (0.48) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL71427 0.78 PDE4B (0.66) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL70380 0.76 PDE4D (0.72) PDE4BPDE4DPDE4APDE4CGFER

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-0569414-A1 BENZAMIDES RHONE-POULENC RORER LIMITED (GB) 1993-11-18 EP disclosed
WO-1992012961-A1 BENZAMIDES RHONE POULENC RORER LIMITED (GB) 1992-08-06 WO disclosed