SCHEMBL6155624

SCHEMBL6155624

Cc1cc(-c2cccc(-c3ccc(OCC(=O)[N+](C)(C)O)c4c3C3CCC4C3)n2)c(C)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL6153077 0.89 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL6152396 0.88 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL6152762 0.80 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL6152658 0.79 NOS3 (0.68) NOS3NOS1NOS2
SCHEMBL6152641 0.77 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL5833906 0.69 NOS3 (0.44) NOS3NOS1NOS2
SCHEMBL6153073 0.69 NOS3 (0.47) NOS3NOS1NOS2
SCHEMBL6152398 0.69 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL5833973 0.69 NOS3 (0.42) NOS3NOS1NOS2
SCHEMBL6152394 0.65 NOS3 (0.41) 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