SCHEMBL6948901

SCHEMBL6948901

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCCCCCCCCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.73
PDE4D Q08499 14/20 0.73
PDE4A P27815 9/20 0.73
PDE4C Q08493 9/20 0.73
CYP2B6 P20813 1/20 0.63

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
SCHEMBL8890369 0.99 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8889648 0.93 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8892506 0.88 PDE4B (0.76) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8890105 0.88 PDE4B (0.72) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8889824 0.87 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7334333 0.87 PDE4B (0.92) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8889614 0.87 PDE4D (0.73) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7339491 0.87 PDE4B (0.92) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL8890089 0.86 PDE4B (0.76) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7361935 0.86 PDE4B (0.94) PDE4BPDE4DPDE4APDE4CCYP2B6

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-0869945-B1 CATECHOL DIETHERS DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS PFIZER (US) 2003-04-16 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-6028086-A SELECTIVE INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV OR PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) AND AS SUCH ARE USEFUL TREATMENT OF ASTHMA, ARTHRITIS, BRONCHITIS, CHRONIC OBSTRUCTIVE AIRWAYS DISEASE, PSORIASIS, ALLERGIC RHINITIS P PFIZER INC (US) 2000-02-22 US disclosed
WO-1996040636-A1 CATECHOL DIETHERS DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed