SCHEMBL6137311

SCHEMBL6137311

NC1=Nc2ccccc2C2CCCC12F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 15/20 1.00
NOS3 P29474 12/20 1.00
NOS2 P35228 12/20 1.00
PRCP P42785 1/20 0.30

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
SCHEMBL6137654 0.81 NOS3 (0.68) NOS1NOS3NOS2
SCHEMBL6137347 0.81 NOS3 (0.74) NOS1NOS3NOS2
SCHEMBL6137615 0.81 NOS3 (0.68) NOS1NOS3NOS2
SCHEMBL6137722 0.81 NOS3 (0.74) NOS1NOS3NOS2
SCHEMBL6137320 0.80 NOS3 (1.00) NOS1NOS3NOS2
SCHEMBL6137334 0.80 NOS3 (0.72) NOS1NOS3NOS2
SCHEMBL6137403 0.79 NOS3 (1.00) NOS1NOS3NOS2
SCHEMBL6137342 0.78 NOS3 (0.69) NOS1NOS3NOS2
SCHEMBL6137612 0.77 NOS3 (0.63) NOS1NOS3NOS2
SCHEMBL6137675 0.77 NOS3 (0.67) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129077-B9 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-07-20 EP claimed
EP-1129077-B1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-04-20 EP claimed
US-6579883-B1 Nitrogen monoxide synthases; 4-amino-8-bromo-3a-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta (c) quinoline; neurodegenerative, autoimmune, cardiovascular diseases SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-17 US claimed
EP-1129077-A1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-05 EP claimed
WO-2000029381-A1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-25 WO claimed
EP-1129077-B9 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-07-20 EP disclosed
EP-1129077-B1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-04-20 EP disclosed
US-6579883-B1 Nitrogen monoxide synthases; 4-amino-8-bromo-3a-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta (c) quinoline; neurodegenerative, autoimmune, cardiovascular diseases SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-17 US disclosed