SCHEMBL6600966

SCHEMBL6600966

COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4ccccn4)c3)CCC2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.48
PDE4D Q08499 7/20 0.48
PDE4B Q07343 6/20 0.48
PDE4C Q08493 5/20 0.48
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PGR P06401 1/20 0.43
GRM4 Q14833 2/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL6602086 0.92 PDE5A (0.49) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6603355 0.92 PDE4D (0.51) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6602622 0.92 SMN1; SMN2 (0.54) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL6601657 0.92 RAB9A (0.47) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6601233 0.91 PDE5A (0.46) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6605978 0.89 PDE5A (0.51) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6603487 0.89 PDE5A (0.46) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6602816 0.89 NPC1 (0.48) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL6602063 0.88 PDE4B (0.52) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6607012 0.88 PDE4B (0.52) PDE4APDE4DPDE4BPDE4CPDE5A

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 4 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-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