SCHEMBL3131372

SCHEMBL3131372

COc1ccc(N(CC2CCNCC2)c2cccc(C(=O)O)c2)cc1OC1CCCC1.COc1ccc(N(Cc2cccnn2)c2cccc(C(=O)O)c2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.49
PDE4A P27815 10/20 0.49
PDE4C Q08493 9/20 0.49
PDE4D Q08499 9/20 0.49
LTC4S Q16873 2/20 0.42
VEGFA P15692 1/20 0.35

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
SCHEMBL3131365 0.94 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3129969 0.91 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL3123159 0.90 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3122601 0.85 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL3131361 0.84 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3193408 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL3118022 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3128155 0.80 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL3132055 0.78 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL1157333 0.78 PDE4A (0.56) PDE4BPDE4APDE4CPDE4D

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed