SCHEMBL6603362

SCHEMBL6603362

COc1ccc(C2=NN(C(=O)c3ccccc3NC(=O)c3ccncc3)CCC2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.54
PDE4D Q08499 11/20 0.49
PDE4B Q07343 9/20 0.49
PDE4A P27815 8/20 0.49
PDE4C Q08493 7/20 0.49
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
MEN1 O00255 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
SCHEMBL6601582 0.92 MAOB (0.48) PDE4BMEN1KMT2A
SCHEMBL6600972 0.92 PDE5A (0.53) PDE5APDE4DPDE4BPDE4APDE4C
SCHEMBL6600783 0.88 RXFP1 (0.43) PDE4BMEN1KMT2A
SCHEMBL7646891 0.87 MAOB (0.41) PDE4BMEN1KMT2A
SCHEMBL6602010 0.87 PDE4B (0.52) PDE5APDE4DPDE4BPDE4APDE4C
SCHEMBL6605978 0.86 PDE5A (0.51) PDE5APDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL7649060 0.86 PDE4B (0.51) PDE5APDE4DPDE4BPDE4APDE4C
SCHEMBL6602257 0.84 ALDH1A1 (0.43) MEN1KMT2A
SCHEMBL143512 0.83 AAK1 (0.52) PDE4BMEN1KMT2A
SCHEMBL6605566 0.82 CFTR (0.47) PDE4BKMT2A

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 5 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
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