SCHEMBL5202917

SCHEMBL5202917

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PGR P06401 12/20 0.52
POLB P06746 1/20 0.52
PDE4B Q07343 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5206295 0.92 ALDH1A1 (0.49) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL5202716 0.92 ALDH1A1 (0.49) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL5203342 0.91 PDE4B (0.55) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6604789 0.88 MAOB (0.59) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL7646579 0.88 ALDH1A1 (0.48) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL3921282 0.87 ALDH1A1 (0.52) ALDH1A1LMNAPKMNPSR1PGR
SCHEMBL6583658 0.85 NPC1 (0.45) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6604071 0.84 MAOB (0.54) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6603384 0.84 MAOB (0.52) MAOBALDH1A1LMNAPKMNPSR1
SCHEMBL6581232 0.83 POLB (0.44) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087946-B1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2007-01-10 EP disclosed
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
US-6417188-B1 ENZYME INHIBITORS OF PHOSPHODIESTERASE MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-07-09 US disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
EP-1087946-A1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-04-04 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
WO-1999065880-A1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 1999-12-23 WO 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