SCHEMBL8063248

SCHEMBL8063248

NC1=NC(C2CC2)Cc2sccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 19/20 1.00
NOS3 P29474 14/20 1.00

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 SCHEMBL8106482 0.98 NOS2 (0.97) NOS2NOS3
SCHEMBL8057588 0.76 NOS2 (1.00) NOS2NOS3
Hydrochloric Acid SCHEMBL8090030 0.75 NOS2 (0.97) NOS2NOS3
SCHEMBL8063163 0.72 NOS2 (1.00) NOS2NOS3
SCHEMBL8057590 0.71 NOS3 (1.00) NOS2NOS3
Hydrochloric Acid SCHEMBL8090069 0.71 NOS2 (0.97) NOS2NOS3
SCHEMBL8058409 0.70 NOS2 (0.88) NOS2NOS3
SCHEMBL8057421 0.69 NOS3 (1.00) NOS2NOS3
Hydrochloric Acid SCHEMBL8106318 0.69 NOS2 (0.85) NOS2NOS3
SCHEMBL8060969 0.66 NOS2 (1.00) NOS2NOS3

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 10 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-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