SCHEMBL6602045

SCHEMBL6602045

COc1ccc(C2=NN(C(=O)c3ccccc3NC(C)=O)CCC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
PDE4B Q07343 6/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PGR P06401 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6602739 0.92 MAOB (0.53) MAOBLMNAMAPTALDH1A1POLB
SCHEMBL6601212 0.88 MAOB (0.48) MAOBMAPTALDH1A1POLBPDE4B
SCHEMBL144923 0.88 ALDH1A1 (0.49) MAOBMAPTALDH1A1POLBPDE4B
SCHEMBL6600413 0.87 TLR7 (0.50) MAOBMAPTALDH1A1POLBNPC1
SCHEMBL6601582 0.87 MAOB (0.48) MAOBLMNAMAPTALDH1A1POLB
SCHEMBL6604600 0.86 ABCG2 (0.52) MAOBLMNAMAPTALDH1A1POLB
SCHEMBL6605631 0.86 NPSR1 (0.52) MAOBMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL6602424 0.85 KMT2A (0.46) MAOBLMNAMAPTALDH1A1POLB
SCHEMBL6605566 0.85 CFTR (0.47) MAOBLMNAMAPTALDH1A1POLB
SCHEMBL143512 0.85 AAK1 (0.52) MAOBMAPTALDH1A1POLBPDE4B

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