SCHEMBL9649326

SCHEMBL9649326

CCCn1c(=O)n(CCCCCO)c(=O)c2[nH]cnc21

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 17/20 0.90
▸ PDE4B Q07343 17/20 0.90
▸ PDE4C Q08493 17/20 0.90
▸ PDE4D Q08499 17/20 0.90
▸ ADORA2B P29275 9/20 0.90
▸ ADORA2A P29274 9/20 0.90

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
SCHEMBL9430425 0.99 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9430830 0.95 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9430292 0.94 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9431257 0.91 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL3990422 0.91 ADORA2B (0.94) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9430589 0.90 PDE4A (0.90) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL9430034 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL21381259 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL7738354 0.88 ADORA2B (1.00) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL3842077 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2B

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-0269841-B1 1-HYDROXYALKYL XANTHINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM SOCIETE DES PRODUITS NESTLE S.A. (CH) 1992-11-11 — — EP claimed
EP-0269841-A1 1-Hydroxyalkyl xanthines, processes for their preparation and medicaments containing them SOCIETE DES PRODUITS NESTLE S.A. (CH) 1988-06-08 — — EP claimed
EP-0269841-B1 1-HYDROXYALKYL XANTHINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM SOCIETE DES PRODUITS NESTLE S.A. (CH) 1992-11-11 — — EP disclosed
US-5053433-A Photodiesterase inhibitor SOCIETE ANONYME DITE: L'OREAL (FR) 1991-10-01 — — US disclosed
EP-0269841-A1 1-Hydroxyalkyl xanthines, processes for their preparation and medicaments containing them SOCIETE DES PRODUITS NESTLE S.A. (CH) 1988-06-08 — — EP disclosed
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