SCHEMBL8601549

SCHEMBL8601549

Cc1cn(CC2CCCCC2)c2cc(C(=O)Cl)ccc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.66
PDE4B Q07343 9/20 0.66
PDE4C Q08493 9/20 0.66
PDE4D Q08499 9/20 0.66
CNR1 P21554 9/20 0.49
SLC22A12 Q96S37 1/20 0.44
CNR2 P34972 2/20 0.41

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
SCHEMBL8601793 0.99 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL1554911 0.89 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL1553088 0.89 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCNR1
Hydrochloric Acid SCHEMBL8601553 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8602085 0.88 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCNR1
Hydrochloric Acid SCHEMBL8601796 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8603044 0.86 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL1553431 0.86 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8602314 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8602662 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCNR1

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