SCHEMBL6600751

SCHEMBL6600751

COc1ccc(C2=NN(C(=O)c3ccccc3N)CCC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
PDE4B Q07343 7/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PGR P06401 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6602739 0.84 MAOB (0.53) MAOBPDE4BALDH1A1POLBPDE4A
SCHEMBL6602045 0.84 MAOB (0.55) MAOBPDE4BALDH1A1POLBPDE4A
SCHEMBL6604789 0.83 MAOB (0.59) MAOBPDE4BALDH1A1POLBPGR
SCHEMBL6602144 0.82 MAOB (0.54) MAOBPDE4BALDH1A1POLBPDE4A
SCHEMBL5202917 0.82 MAOB (0.56) MAOBPDE4BALDH1A1POLBPGR
SCHEMBL27958514 0.81 MAOB (0.67) MAOBPDE4BALDH1A1POLBPDE4A
SCHEMBL7352679 0.81 PDE4B (0.46) MAOBPDE4BALDH1A1POLBPGR
SCHEMBL15086715 0.81 MAOB (0.65) MAOBPDE4BALDH1A1POLBPDE4A
SCHEMBL144923 0.80 ALDH1A1 (0.49) MAOBPDE4BALDH1A1POLBPDE4A
SCHEMBL6601212 0.80 MAOB (0.48) MAOBPDE4BALDH1A1POLBPDE4A

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