SCHEMBL6137334

SCHEMBL6137334

NC1=Nc2ccc(Br)cc2C2CCCC12F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 15/20 0.72
NOS1 P29475 15/20 0.72
NOS2 P35228 15/20 0.72
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
APP P05067 2/20 0.31
BACE1 P56817 2/20 0.31

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
SCHEMBL6137722 0.85 NOS3 (0.74) NOS3NOS1NOS2KDM1AKDM1B
SCHEMBL6137347 0.85 NOS3 (0.74) NOS3NOS1NOS2
SCHEMBL6137320 0.84 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL6137342 0.82 NOS3 (0.69) NOS3NOS1NOS2KDM1A
SCHEMBL6137675 0.81 NOS3 (0.67) NOS3NOS1NOS2KDM1AAPP
SCHEMBL6137760 0.81 NOS3 (0.67) NOS3NOS1NOS2KDM1A
SCHEMBL6137311 0.80 NOS1 (1.00) NOS3NOS1NOS2
SCHEMBL6137735 0.79 NOS3 (0.65) NOS3NOS1NOS2KDM1ABACE1
SCHEMBL6137615 0.77 NOS3 (0.68) NOS3NOS1NOS2KDM1AKDM1B
SCHEMBL6137654 0.77 NOS3 (0.68) NOS3NOS1NOS2

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