SCHEMBL8605201

SCHEMBL8605201

Cc1cn(C2CCOC2)c2cc(C(=O)Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
ASH1L Q9NR48 1/20 0.43
HTR3A P46098 6/20 0.42
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
P2RX7 Q99572 5/20 0.36
IL1B P01584 4/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36

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
SCHEMBL1554751 0.89 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DASH1L
Hydrochloric Acid SCHEMBL8605205 0.88 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DASH1L
SCHEMBL1554432 0.86 CNR2 (0.46) PDE4APDE4BPDE4CPDE4DASH1L
SCHEMBL1554082 0.80 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL7402578 0.76 HDAC3 (0.47) PDE4APDE4BPDE4CPDE4DHTR3A
SCHEMBL7402575 0.73 HTR3A (0.38) PDE4APDE4BPDE4CPDE4DASH1L
SCHEMBL8669588 0.72 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DASH1L
SCHEMBL1552979 0.72 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSCN5A
SCHEMBL14547319 0.71 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSCN5A
SCHEMBL1554355 0.71 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSCN5A

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed