SCHEMBL6625815

SCHEMBL6625815

COc1ccc(C2=NN(C(=O)Cc3cccc(N)c3)CCC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
PDE4B Q07343 15/20 0.49
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6601399 0.94 MAOB (0.46) MAOBPDE4BPDE4APDE4CPDE4D
SCHEMBL6601661 0.91 PDE4B (0.48) MAOBPDE4BPDE4APDE4CPDE4D
SCHEMBL6601466 0.89 MAOB (0.56) MAOBPDE4BPDE4APDE4CPDE4D
SCHEMBL6602144 0.83 MAOB (0.54) MAOBPDE4BPDE4APDE4CPDE4D
SCHEMBL5202917 0.83 MAOB (0.56) MAOBPDE4BALDH1A1LMNASMN1; SMN2
SCHEMBL980757 0.83 MAOB (0.61) MAOBPDE4BPDE4APDE4CPDE4D
SCHEMBL980754 0.83 MAOB (0.61) MAOBPDE4BPDE4APDE4CPDE4D
SCHEMBL6603625 0.83 MAOB (0.48) MAOBPDE4BALDH1A1LMNAHPGD
SCHEMBL979373 0.82 MAOB (0.67) MAOBPDE4BPDE4APDE4CPDE4D
SCHEMBL14484340 0.82 MAOB (0.60) MAOBPDE4BPDE4APDE4CPDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed