SCHEMBL3133279

SCHEMBL3133279

COc1ccc(NCc2cncnc2)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
PDE4A P27815 15/20 0.47
QPCT Q16769 1/20 0.46
PDE4D Q08499 5/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL3133564 0.98 POLB (0.48) POLBPDE4AQPCTPDE4DPDE4B
SCHEMBL3131100 0.95 POLB (0.44) POLBPDE4AQPCTPDE4DPDE4B
SCHEMBL986245 0.87 PDE4A (0.60) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL986248 0.87 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL3118145 0.84 POLB (0.47) POLBPDE4AQPCTPDE4DPDE4B
SCHEMBL1157332 0.84 PDE4A (0.58) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL3120566 0.84 PDE4A (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL1157253 0.83 TUBB4A (0.57) POLBPDE4BALDH1A1MAPT
SCHEMBL1157459 0.83 POLB (0.55) POLBPDE4AQPCTPDE4DPDE4B
SCHEMBL1157608 0.82 POLB (0.50) POLBPDE4AQPCTPDE4DPDE4B

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