SCHEMBL14404690

SCHEMBL14404690

C=C(Nc1ccc2c(ccn2CCC2CCCN2C)c1)N[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 11/20 0.45
NOS1 P29475 11/20 0.45
NOS2 P35228 8/20 0.45
HTR6 P50406 4/20 0.40
RAD52 P43351 1/20 0.36
TERT O14746 1/20 0.36
CHRM3 P20309 1/20 0.35

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
SCHEMBL27747783 0.79 NOS3 (0.52) NOS3NOS1NOS2HTR6RAD52
SCHEMBL2266718 0.78 CHRNB4 (0.50) NOS3NOS1NOS2HTR6
SCHEMBL2265423 0.75 NOS3 (0.50) NOS3NOS1NOS2HTR6
SCHEMBL2261749 0.74 NOS3 (0.64) NOS3NOS1NOS2HTR6
SCHEMBL2262122 0.74 NOS3 (0.64) NOS3NOS1NOS2HTR6
SCHEMBL15178521 0.73 NOS3 (0.61) NOS3NOS1NOS2HTR6
SCHEMBL12367568 0.72 NOS3 (0.56) NOS3NOS1NOS2HTR6
SCHEMBL2263689 0.72 NOS3 (0.65) NOS3NOS1NOS2
SCHEMBL27768895 0.70 CHRNB2 (0.46) NOS3NOS1NOS2HTR6CHRM3
SCHEMBL2263181 0.69 NOS3 (0.51) NOS3NOS1NOS2HTR6

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
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 WO disclosed