SCHEMBL6604019

SCHEMBL6604019

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CCC2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
PDE4B Q07343 5/20 0.49
PDE4A P27815 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.46
QRFPR Q96P65 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 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
SCHEMBL6601277 0.93 L3MBTL1 (0.47) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL6605728 0.92 MAPT (0.59) MAPTKMT2AMEN1KDM4EHPGD
SCHEMBL6607041 0.88 MAPT (0.52) MAPTKMT2AMEN1KDM4EHPGD
SCHEMBL6602010 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6603998 0.87 MAPT (0.51) MAPTKMT2AMEN1KDM4EHPGD
SCHEMBL6602284 0.87 PDE4D (0.51) PDE4BPDE4APDE4CPDE4DPDE5A
Hydrochloric Acid SCHEMBL7649060 0.87 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL6601678 0.86 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL6603243 0.86 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6603355 0.85 PDE4D (0.51) PDE4BPDE4APDE4CPDE4DKDM4E

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