SCHEMBL6602010

SCHEMBL6602010

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4ccncc4)cc3)CCC2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.52
PDE4A P27815 7/20 0.52
PDE4D Q08499 6/20 0.52
PDE4C Q08493 5/20 0.52
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P2RX3 P56373 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL7649060 0.99 PDE4B (0.51) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6603307 0.92 LMNA (0.54) PDE4BLMNAMAPK1HTTSMN1; SMN2
SCHEMBL6605978 0.91 PDE5A (0.51) PDE4BPDE4APDE4DPDE4CPDE5A
Hydrochloric Acid SCHEMBL7652840 0.91 LMNA (0.53) PDE4BLMNAMAPK1HTTSMN1; SMN2
SCHEMBL6603616 0.91 PDE4D (0.47) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL145065 0.91 PDE4A (0.51) PDE4BPDE4APDE4DPDE4CPDE5A
Hydrochloric Acid SCHEMBL7646226 0.90 PDE4D (0.50) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6602284 0.90 PDE4D (0.51) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6601678 0.89 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6603243 0.89 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP claimed
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 claimed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US claimed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP claimed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO claimed
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP 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
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