SCHEMBL6601003

SCHEMBL6601003

COc1ccc(C2=NN(C(=O)Cc3ccc(N)cc3)CCC2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.49
PDE4A P27815 16/20 0.49
PDE4C Q08493 15/20 0.49
PDE4D Q08499 15/20 0.49
MAOB P27338 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
SCHEMBL6601466 0.91 MAOB (0.56) PDE4BPDE4APDE4CPDE4DMAOB
SCHEMBL6601661 0.91 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DMAOB
SCHEMBL6603625 0.86 MAOB (0.48) PDE4BMAOB
SCHEMBL6602629 0.86 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DMAOB
SCHEMBL6604768 0.85 MAOB (0.47) PDE4BMAOB
SCHEMBL6604734 0.82 PDE4B (0.43) PDE4BPDE4DMAOB
SCHEMBL6601874 0.81 ABCG2 (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL6625815 0.81 MAOB (0.53) PDE4BPDE4APDE4CPDE4DMAOB
SCHEMBL5203342 0.80 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DMAOB
SCHEMBL3324145 0.79 MAOB (0.58) PDE4BMAOB

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 3 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
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed