SCHEMBL8892162

SCHEMBL8892162

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1Cc2ccccc2C1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.76
PDE4A P27815 12/20 0.76
PDE4B Q07343 12/20 0.76
PDE4C Q08493 12/20 0.76
CYP2B6 P20813 1/20 0.58
NOX1 Q9Y5S8 1/20 0.55
ABCB11 O95342 1/20 0.50
PDE5A O76074 1/20 0.48

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
Piclamilast SCHEMBL26573 0.86 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL70770 0.86 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7335911 0.85 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7336534 0.84 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7336538 0.84 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7341113 0.84 PDE4D (0.84) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7338639 0.84 PDE4D (0.79) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7335658 0.84 PDE4D (0.79) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7338627 0.84 PDE4D (0.79) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7354173 0.84 PDE4D (0.83) PDE4DPDE4APDE4BPDE4CCYP2B6

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
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO claimed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed