SCHEMBL6607012

SCHEMBL6607012

COc1ccc(C2=NN(C(=O)c3cccc(NC(C)=O)c3)CCC2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.52
PDE4D Q08499 11/20 0.52
PDE4A P27815 9/20 0.52
PDE4C Q08493 9/20 0.52
PDE5A O76074 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 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
SCHEMBL6602063 0.93 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL6604071 0.91 MAOB (0.54) PDE4BMAOBALDH1A1LMNAPKM
SCHEMBL6603243 0.91 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CMAOB
SCHEMBL6605978 0.90 PDE5A (0.51) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL6602086 0.90 PDE5A (0.49) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL145204 0.90 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL6584543 0.89 PDE5A (0.52) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL145758 0.88 PDE5A (0.49) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL6600966 0.88 PDE4A (0.48) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL6581707 0.88 PDE4D (0.51) PDE4BPDE4DPDE4APDE4CPDE5A

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 3 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