SCHEMBL6604612

SCHEMBL6604612

CCOc1cc(C2=NN(C(=O)c3ccc(NC(C)=O)cc3)CCC2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.47
PGR P06401 8/20 0.46
GAA P10253 1/20 0.45
RORC P51449 1/20 0.43
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4B Q07343 1/20 0.42
TP53 P04637 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL143747 0.93 ALDH1A1 (0.48) MAOBPOLBALDH1A1MAPTPGR
SCHEMBL6563907 0.93 ALDH1A1 (0.51) MAOBPOLBALDH1A1MAPTPGR
SCHEMBL6601851 0.93 ALDH1A1 (0.48) MAOBPOLBALDH1A1MAPTPGR
SCHEMBL6601921 0.93 MAOB (0.57) MAOBPOLBALDH1A1MAPTPGR
SCHEMBL6226074 0.91 ALDH1A1 (0.47) MAOBPOLBALDH1A1MAPTPGR
SCHEMBL145108 0.91 ALDH1A1 (0.47) MAOBPOLBALDH1A1PGRGAA
SCHEMBL6603184 0.90 MAOB (0.47) MAOBPOLBALDH1A1MAPTPGR
SCHEMBL6362435 0.90 ALDH1A1 (0.46) MAOBPOLBALDH1A1PGRGAA
SCHEMBL6582201 0.90 GAA (0.51) MAOBPOLBALDH1A1MAPTPGR
SCHEMBL6581784 0.90 ALDH1A1 (0.55) MAOBPOLBALDH1A1MAPTTP53

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