SCHEMBL3131365

SCHEMBL3131365

COc1ccc(N(Cc2cccnn2)c2cccc(C(=O)OC(=O)c3cccc(N(CC4CCNCC4)c4ccc(OC)c(OC5CCCC5)c4)c3)c2)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.42
PDE4A P27815 13/20 0.42
PDE4C Q08493 12/20 0.42
PDE4D Q08499 12/20 0.42
LTC4S Q16873 1/20 0.37
CYP3A4 P08684 2/20 0.35
VEGFA P15692 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CREBBP Q92793 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE5A O76074 1/20 0.35
TNF P01375 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
PDE1A P54750 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
SCHEMBL3131372 0.94 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3129969 0.85 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3193408 0.85 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3123159 0.84 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3128155 0.82 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL3122601 0.80 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL3129519 0.79 PDE4A (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL3131361 0.79 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3132055 0.78 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3118022 0.75 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DLTC4S

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