SCHEMBL6602175

SCHEMBL6602175

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4ccno4)cc3)CCC2)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.47
PDE4A P27815 12/20 0.47
PDE4B Q07343 11/20 0.47
PDE4C Q08493 11/20 0.47
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
P2RX3 P56373 1/20 0.40

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
SCHEMBL6601439 0.92 MAOB (0.47) POLBALDH1A1
SCHEMBL6601184 0.92 PDE5A (0.46) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6601043 0.88 TSHR (0.49) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7647347 0.88 ALDH1A1 (0.42) POLBALDH1A1
SCHEMBL6601713 0.88 ALDH1A1 (0.42) POLBALDH1A1
SCHEMBL6602010 0.88 PDE4B (0.52) PDE4DPDE4APDE4BPDE4CPDE5A
Hydrochloric Acid SCHEMBL7649060 0.87 PDE4B (0.51) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6602284 0.87 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6601678 0.86 PDE4B (0.52) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6603243 0.86 PDE4B (0.52) PDE4DPDE4APDE4BPDE4CPOLB

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