SCHEMBL6603625

SCHEMBL6603625

CCOc1cc(C2=NN(C(=O)Cc3ccc(N)cc3)CCC2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
PDE4B Q07343 12/20 0.46
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PGR P06401 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6601466 0.93 MAOB (0.56) MAOBPDE4BALDH1A1HPGDRAB9A
SCHEMBL6601399 0.90 MAOB (0.46) MAOBPDE4BALDH1A1HPGDRAB9A
SCHEMBL6604768 0.87 MAOB (0.47) MAOBPDE4BALDH1A1HPGDRAB9A
SCHEMBL3920897 0.87 ALDH1A1 (0.52) MAOBPDE4BALDH1A1HPGDSMN1; SMN2
SCHEMBL6601003 0.86 PDE4B (0.49) MAOBPDE4B
SCHEMBL13983258 0.86 HPGD (0.56) MAOBPDE4BALDH1A1HPGDRAB9A
SCHEMBL8354357 0.84 MAOB (0.52) MAOBPDE4BALDH1A1HPGDRAB9A
SCHEMBL8351887 0.84 MAOB (0.54) MAOBPDE4BALDH1A1HPGDRAB9A
SCHEMBL6604734 0.84 PDE4B (0.43) MAOBPDE4BALDH1A1HPGDRAB9A
SCHEMBL6625815 0.83 MAOB (0.53) MAOBPDE4BALDH1A1HPGDRAB9A

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