SCHEMBL8601090

SCHEMBL8601090

Cc1cn(C(C)C2CCCCC2)c2cc(C3CCNC3=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PTGER4 P35408 1/20 0.30

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
SCHEMBL8603224 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL8601171 0.77 NR1D1 (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL8601087 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL1554928 0.73 SLC22A12 (0.44) PDE4APDE4BPDE4CPDE4DPTGER4
SCHEMBL8602159 0.72 BRD4 (0.41) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8571276 0.72 SLC22A12 (0.44) PDE4APDE4BPDE4CPDE4DPTGER4
SCHEMBL8600001 0.71 CNR1 (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL1554768 0.70 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DPTGER4
SCHEMBL8669588 0.70 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL8599642 0.70 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D

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