SCHEMBL5451521

SCHEMBL5451521

CC(O)CCCCn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.68
▸ ADORA2A P29274 9/20 0.68
▸ PDE4A P27815 8/20 0.68
▸ PDE4B Q07343 8/20 0.68
▸ PDE4C Q08493 8/20 0.68
▸ PDE4D Q08499 8/20 0.68
▸ ADORA3 P0DMS8 6/20 0.68
▸ PDE2A O00408 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ CFTR P13569 1/20 0.40

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
SCHEMBL27256851 0.88 ADORA2B (0.68) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL1892011 0.83 ADORA2B (0.92) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL7326960 0.83 ADORA2A (0.67) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL59949 0.83 ADORA2B (0.72) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9432924 0.82 ADORA2B (0.71) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11661797 0.82 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL21381249 0.82 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL6233166 0.81 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL31081359 0.81 ADORA2B (0.74) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL27395394 0.81 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C

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
US-7253176-B1 Immunosuppressive effects of 8-substituted xanthine derivatives K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-08-07 — — US disclosed
EP-0956855-B1 Immunosuppressive effects of 8 substituted xanthine derivatives LEUVEN K U RES & DEV (BE) 2003-03-12 — — EP disclosed
EP-0956855-A1 Immunosuppressive effects of 8-substituted xanthine derivatives K.U. Leuven Research & Development (BE) 1999-11-17 — — EP disclosed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 — — WO disclosed
US-4983514-A Adding the enzyme inhibitors and a prostaglandin to a blood sample removed from the subject body and measuring the platelet coagulation HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 — — US disclosed
Send feedback