SCHEMBL6607064

SCHEMBL6607064

CCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4c[nH]cn4)cc3)CCC2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.45
PGR P06401 7/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6600325 0.94 CFTR (0.49) CFTRPGRALDH1A1GAAPOLB
SCHEMBL6604689 0.92 ALDH1A1 (0.45) CFTRPGRALDH1A1GAAPOLB
SCHEMBL7783534 0.89 CFTR (0.44) CFTRPGRALDH1A1GAAPOLB
SCHEMBL6581226 0.89 PGR (0.54) CFTRPGRALDH1A1GAAPOLB
SCHEMBL6608236 0.89 PDE4D (0.46) CFTRPGRALDH1A1GAAPOLB
SCHEMBL6600779 0.87 NPC1 (0.49) CFTRPGRALDH1A1POLBCYP1A2
SCHEMBL6606987 0.87 PGR (0.43) CFTRPGRALDH1A1GAAPOLB
SCHEMBL6601535 0.87 CFTR (0.45) CFTRPGRALDH1A1GAAPOLB
SCHEMBL6582201 0.86 GAA (0.51) PGRALDH1A1GAAPOLBMAOB
SCHEMBL6587589 0.86 ALDH1A1 (0.52) PGRALDH1A1POLBMAOBCYP1A2

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