SCHEMBL7422378

SCHEMBL7422378

C[C@@H](F)c1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.73
PDE4B Q07343 17/20 0.73
PDE4A P27815 13/20 0.73
PDE4C Q08493 13/20 0.73
ABCB11 O95342 1/20 0.55
CYP2B6 P20813 1/20 0.46

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
SCHEMBL7419170 1.00 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7422159 0.92 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7421279 0.85 PDE4D (0.78) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL29824395 0.84 PDE4D (0.77) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL2888064 0.84 PDE4D (0.77) PDE4DPDE4BPDE4APDE4CABCB11
Piclamilast SCHEMBL26573 0.84 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15085259 0.84 PDE4D (0.77) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7379219 0.84 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7335911 0.83 PDE4D (0.98) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7421422 0.83 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CABCB11

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-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed