SCHEMBL6603487

SCHEMBL6603487

COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4c[nH]cn4)c3)CCC2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
PDE4D Q08499 11/20 0.45
PDE4B Q07343 10/20 0.45
PDE4A P27815 9/20 0.45
PDE4C Q08493 9/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CFTR P13569 1/20 0.39
PGR P06401 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6600797 0.93 ALDH1A1 (0.48) ALDH1A1LMNAPKMNPSR1CFTR
SCHEMBL6608236 0.92 PDE4D (0.46) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6604689 0.89 ALDH1A1 (0.45) ALDH1A1LMNAPKMNPSR1CFTR
SCHEMBL6600966 0.89 PDE4A (0.48) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6601233 0.88 PDE5A (0.46) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6602086 0.88 PDE5A (0.49) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6601657 0.87 RAB9A (0.47) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6581707 0.87 PDE4D (0.51) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6602063 0.86 PDE4B (0.52) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL6607012 0.86 PDE4B (0.52) PDE5APDE1APDE1BPDE1CPDE4D

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