SCHEMBL5203342

SCHEMBL5203342

COc1ccc(C2=NN(C(=O)c3cccc(N)c3)CCC2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.55
PDE4D Q08499 10/20 0.55
PDE4A P27815 9/20 0.55
PDE4C Q08493 9/20 0.55
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAOB P27338 1/20 0.46
PGR P06401 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5202917 0.91 MAOB (0.56) PDE4BALDH1A1LMNAPKMNPSR1
SCHEMBL6602629 0.90 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL6584543 0.87 PDE5A (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL7646579 0.86 ALDH1A1 (0.48) ALDH1A1LMNAPKMNPSR1MAOB
SCHEMBL6607012 0.86 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL6602063 0.86 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL5202716 0.85 ALDH1A1 (0.49) PDE4BALDH1A1LMNAPKMNPSR1
SCHEMBL5206295 0.85 ALDH1A1 (0.49) PDE4BALDH1A1LMNAPKMNPSR1
SCHEMBL6601661 0.85 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CMAOB
SCHEMBL14553640 0.85 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087946-B1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2007-01-10 EP disclosed
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
US-6417188-B1 ENZYME INHIBITORS OF PHOSPHODIESTERASE MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-07-09 US disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
EP-1087946-A1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-04-04 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
WO-1999065880-A1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 1999-12-23 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