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SCHEMBL8633013

SCHEMBL8633013

Cc1cn(CCCC2CCCCC2)c2cc(C3CCN(C(=O)OC(C)(C)C)C3=O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 0.50
▸ PDE4B Q07343 8/20 0.50
▸ PDE4C Q08493 8/20 0.50
▸ PDE4D Q08499 8/20 0.50
▸ GPR119 Q8TDV5 9/20 0.38
▸ CNR1 P21554 1/20 0.34
▸ BACE1 P56817 2/20 0.33
▸ CTSD P07339 1/20 0.33

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
SCHEMBL8603217 0.91 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8601621 0.90 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8603112 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8572419 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8602129 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8649978 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL8604717 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL8600404 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL8602069 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL8601928 0.74 PDE4A (0.47) 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