SCHEMBL6137403

SCHEMBL6137403

NC1=Nc2c(F)cccc2C2CCCC12F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 10/20 1.00
NOS1 P29475 10/20 1.00
NOS2 P35228 10/20 1.00
TAAR1 Q96RJ0 2/20 0.33
CYP2D6 P10635 1/20 0.33
KDM1A O60341 4/20 0.33
KDM1B Q8NB78 1/20 0.33
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 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
SCHEMBL6137311 0.79 NOS1 (1.00) NOS3NOS1NOS2
SCHEMBL6137615 0.76 NOS3 (0.68) NOS3NOS1NOS2KDM1AKDM1B
SCHEMBL7171102 0.74 NOS3 (0.59) NOS3NOS1NOS2TAAR1CYP2D6
SCHEMBL6137722 0.73 NOS3 (0.74) NOS3NOS1NOS2KDM1AKDM1B
SCHEMBL6137654 0.73 NOS3 (0.68) NOS3NOS1NOS2HTR2C
SCHEMBL6137347 0.70 NOS3 (0.74) NOS3NOS1NOS2
SCHEMBL6137612 0.69 NOS3 (0.63) NOS3NOS1NOS2KDM1A
SCHEMBL6137334 0.69 NOS3 (0.72) NOS3NOS1NOS2KDM1AKDM1B
SCHEMBL6137320 0.69 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL6137325 0.69 NOS3 (0.52) 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 10 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
EP-1129077-A1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
WO-2000029381-A1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed