SCHEMBL6601535

SCHEMBL6601535

CCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4ccncn4)cc3)CCC2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
PGR P06401 4/20 0.43
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 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
SCHEMBL6601859 0.94 CFTR (0.50) CFTRALDH1A1POLBPGRGAA
SCHEMBL6603283 0.92 ALDH1A1 (0.43) CFTRALDH1A1POLBPGRMAOB
SCHEMBL6601230 0.91 HTT (0.47) CFTRALDH1A1POLBGAAMAOB
Hydrochloric Acid SCHEMBL7646217 0.90 HTT (0.47) CFTRALDH1A1POLBGAAMAOB
SCHEMBL6602654 0.90 RAB9A (0.47) CFTRALDH1A1POLBPGR
SCHEMBL6600779 0.90 NPC1 (0.49) CFTRALDH1A1POLBPGR
SCHEMBL6603616 0.88 PDE4D (0.47) CFTRALDH1A1POLB
SCHEMBL6601547 0.88 ALDH1A1 (0.47) CFTRALDH1A1POLBPGRGAA
SCHEMBL6581226 0.88 PGR (0.54) CFTRALDH1A1POLBPGRGAA
SCHEMBL6582201 0.87 GAA (0.51) ALDH1A1POLBPGRGAAMAOB

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