SCHEMBL8890105

SCHEMBL8890105

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCc1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.72
PDE4D Q08499 6/20 0.72
PDE4A P27815 3/20 0.72
PDE4C Q08493 3/20 0.72
CYP2B6 P20813 1/20 0.62
PTAFR P25105 4/20 0.56
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL8889809 0.95 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8892506 0.89 PDE4B (0.76) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8891197 0.89 PDE4D (0.69) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8890369 0.89 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL6948901 0.88 PDE4B (0.73) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8889648 0.86 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL6878175 0.85 PDE4B (0.85) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8890123 0.84 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7336155 0.84 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7361935 0.83 PDE4B (0.94) PDE4BPDE4DPDE4APDE4CCYP2B6

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