SCHEMBL8891595

SCHEMBL8891595

COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OCCc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.67
F10 P00742 1/20 0.49
PDE4A P27815 3/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
RAF1 P04049 1/20 0.43
MAP2K1 Q02750 1/20 0.43
CYP2B6 P20813 1/20 0.43

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
SCHEMBL8889710 0.84 PDE4D (0.67) PDE4DPDE4APDE4BPDE4C
SCHEMBL8891655 0.83 PDE4B (0.70) PDE4DF10PDE4APDE4BPDE4C
SCHEMBL1026961 0.82 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL1434447 0.82 PDE4D (0.77) PDE4DPDE4APDE4BPDE4C
SCHEMBL8891275 0.81 F10 (0.52) PDE4DF10PDE4APDE4BPDE4C
SCHEMBL8890013 0.80 KDM4E (0.61) PDE4DF10PDE4APDE4BPDE4C
SCHEMBL8554187 0.80 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8892307 0.79 KDM4E (0.52) F10
SCHEMBL9279916 0.77 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890380 0.77 PDE4D (0.41) PDE4DF10PDE4APDE4BPDE4C

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