SCHEMBL6153425

SCHEMBL6153425

CCc1ccccc1N1CCN(CCOc2ccc(-c3cccc(N)n3)c3c2C2CCC3CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 17/20 0.56
NOS1 P29475 17/20 0.56
NOS2 P35228 15/20 0.56
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
ABCB1 P08183 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL6152955 0.86 NOS3 (0.72) NOS3NOS1NOS2
SCHEMBL6152196 0.85 NOS3 (0.69) NOS3NOS1NOS2
SCHEMBL6153422 0.83 NOS1 (0.60) NOS3NOS1NOS2DRD2HTR2A
SCHEMBL6152435 0.82 NOS3 (0.69) NOS3NOS1NOS2
SCHEMBL5833985 0.81 NOS3 (0.69) NOS3NOS1NOS2
SCHEMBL6153070 0.77 NOS1 (0.75) NOS3NOS1NOS2HTR1ADRD2
SCHEMBL6152558 0.73 NOS1 (0.91) NOS3NOS1NOS2
SCHEMBL5833259 0.72 NOS3 (0.75) NOS3NOS1NOS2HTR1A
SCHEMBL5834368 0.72 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL6152958 0.72 NOS1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084109-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2005-01-26 EP disclosed