SCHEMBL6604071

SCHEMBL6604071

COc1ccc(C2=NN(C(=O)c3cccc(NC(C)=O)c3)CCC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PGR P06401 7/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FYN P06241 2/20 0.45
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
PDE4B Q07343 1/20 0.44
KIT P10721 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
SCHEMBL14484275 0.94 MAOB (0.62) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6603184 0.93 MAOB (0.47) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6603384 0.92 MAOB (0.52) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6607012 0.91 PDE4B (0.52) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6601921 0.89 MAOB (0.57) MAOBALDH1A1LMNAPGRPOLB
SCHEMBL144055 0.88 MAOB (0.48) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6602165 0.88 MAOB (0.48) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6602100 0.88 MAOB (0.48) MAOBALDH1A1LMNAPKMNPSR1
Hydrochloric Acid SCHEMBL7646213 0.87 MAOB (0.47) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6603434 0.87 LMNA (0.50) MAOBALDH1A1LMNAPKMNPSR1

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