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SCHEMBL8267229

SCHEMBL8267229

CC(O)c1ccc(C2CC(=O)N(CC(=O)N(C)c3nnc(C4CC4)s3)C2)cc1OCC1CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 0.32
▸ PDE4B Q07343 6/20 0.32
▸ PDE4C Q08493 6/20 0.32
▸ PDE4D Q08499 6/20 0.32
▸ RXRA P19793 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ACACB O00763 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
SCHEMBL8268621 1.00 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DRXRA
SCHEMBL8267221 0.94 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4465524 0.89 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4462115 0.89 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4475600 0.88 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL4464163 0.88 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL4460068 0.88 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL8268619 0.84 NPC1 (0.40) POLBSMN1; SMN2
SCHEMBL4476612 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8267064 0.82 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DRXRA

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-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 — — WO disclosed