SCHEMBL8056687

SCHEMBL8056687

NCCc1ccc(C2Cc3ccccc3C(N)=N2)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 20/20 0.68
NOS2 P35228 13/20 0.66

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
Hydrochloric Acid SCHEMBL8104272 0.99 NOS3 (0.67) NOS3NOS2
SCHEMBL8063258 0.85 NOS3 (0.64) NOS3NOS2
Hydrochloric Acid SCHEMBL8098150 0.84 NOS3 (0.63) NOS3NOS2
SCHEMBL251337 0.82 NOS3 (1.00) NOS3NOS2
Hydrochloric Acid SCHEMBL8097464 0.81 NOS3 (0.97) NOS3NOS2
SCHEMBL8045541 0.80 NOS3 (1.00) NOS3NOS2
SCHEMBL8057575 0.80 NOS3 (1.00) NOS3NOS2
SCHEMBL8057510 0.80 NOS3 (0.77) NOS3NOS2
SCHEMBL8060998 0.80 NOS3 (0.77) NOS3NOS2
SCHEMBL8056680 0.79 NOS3 (0.62) NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027052-A1 NOVEL COMBINATION AstraZeneca UK Limited (GB) 2000-08-16 EP claimed
US-6046191-A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS ASTRA PHARMACEUTICALS LTD. (GB) 2000-04-04 US claimed
WO-1999018960-A1 NOVEL COMBINATION ASTRAZENECA UK LIMITED (GB) 1999-04-22 WO claimed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed
EP-1027052-A1 NOVEL COMBINATION AstraZeneca UK Limited (GB) 2000-08-16 EP disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
US-6046191-A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS ASTRA PHARMACEUTICALS LTD. (GB) 2000-04-04 US disclosed
WO-1999018960-A1 NOVEL COMBINATION ASTRAZENECA UK LIMITED (GB) 1999-04-22 WO disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed