SCHEMBL6601466

SCHEMBL6601466

COc1ccc(C2=NN(C(=O)Cc3ccc(N)cc3)CCC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
PDE4B Q07343 13/20 0.52
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
PGR P06401 1/20 0.41

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
SCHEMBL6603625 0.93 MAOB (0.48) MAOBPDE4BALDH1A1LMNAHPGD
SCHEMBL6604768 0.92 MAOB (0.47) MAOBPDE4BALDH1A1LMNAHPGD
SCHEMBL6601003 0.91 PDE4B (0.49) MAOBPDE4BPDE4DPDE4APDE4C
SCHEMBL6625815 0.89 MAOB (0.53) MAOBPDE4BALDH1A1LMNAPDE4D
SCHEMBL6604734 0.88 PDE4B (0.43) MAOBPDE4BALDH1A1LMNAPDE4D
SCHEMBL3324145 0.87 MAOB (0.58) MAOBPDE4BALDH1A1LMNAHPGD
SCHEMBL6604789 0.84 MAOB (0.59) MAOBPDE4BALDH1A1LMNASMN1; SMN2
SCHEMBL979299 0.84 MAOB (0.65) MAOBPDE4BALDH1A1LMNAPDE4D
SCHEMBL981326 0.84 MAOB (0.65) MAOBPDE4BALDH1A1LMNAPDE4D
SCHEMBL6602144 0.84 MAOB (0.54) MAOBPDE4BALDH1A1LMNAPDE4D

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 8 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
EP-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 EP disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 WO 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