SCHEMBL6998320

SCHEMBL6998320

Nc1cnccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc([N+](=O)[O-])cc3c2N(CC3)C1=O

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.80
PDE4B Q07343 20/20 0.80
PDE4C Q08493 20/20 0.80
PDE4D Q08499 20/20 0.80
PDE3B Q13370 13/20 0.74
PDE3A Q14432 13/20 0.74
PDE5A O76074 10/20 0.60
PDE1A P54750 10/20 0.60
PDE1B Q01064 10/20 0.60
PDE1C Q14123 10/20 0.60

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
SCHEMBL6990758 1.00 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6990755 1.00 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6623347 0.91 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6994103 0.89 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6994109 0.89 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8413178 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7821995 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6623738 0.87 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6998629 0.85 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6998626 0.85 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980374-B1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PFIZER HOLDING FRANCE (FR) 2003-02-12 EP disclosed
US-6239130-B1 ASTHMA, ATOPIC DERMATITIS, RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISORDERS, PULMONARY HYPERTENSION, LIVER INJURY, BONE LOSS, SEPTIC SHOCK, OR MULTIPLE SCLEROSIS, WARNER-LAMBERT COMPANY 2001-05-29 US disclosed