SCHEMBL6601582

SCHEMBL6601582

COc1ccc(C2=NN(C(=O)c3ccccc3NC(=O)c3ccncc3)CCC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CHEK1 O14757 1/20 0.45
PIM1 P11309 1/20 0.45
MAPK8 P45983 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4B Q07343 1/20 0.44
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6600783 0.94 RXFP1 (0.43) MAOBNPC1RAB9APKMALDH1A1
SCHEMBL7646891 0.93 MAOB (0.41) MAOBNPC1RAB9APKMALDH1A1
SCHEMBL6603362 0.92 PDE5A (0.54) PDE4BKMT2AMEN1
SCHEMBL143512 0.91 AAK1 (0.52) MAOBNPC1RAB9AALDH1A1AAK1
SCHEMBL6602257 0.90 ALDH1A1 (0.43) MAOBNPC1RAB9APKMALDH1A1
SCHEMBL6605566 0.89 CFTR (0.47) MAOBNPC1RAB9APKMALDH1A1
SCHEMBL6601212 0.89 MAOB (0.48) MAOBNPC1ALDH1A1CHEK1PIM1
SCHEMBL6600413 0.88 TLR7 (0.50) MAOBNPC1RAB9AALDH1A1CHEK1
SCHEMBL6602045 0.87 MAOB (0.55) MAOBNPC1RAB9AALDH1A1POLB
SCHEMBL6602739 0.87 MAOB (0.53) MAOBNPC1ALDH1A1CHEK1PIM1

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 5 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
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