SCHEMBL1122207

SCHEMBL1122207

CN(C)CCc1c[nH]c2ccc(N=C(N)c3cccs3)cc12.NC(=Nc1ccc2ccn(CCc3ccccc3)c2c1)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 20/20 0.71
NOS3 P29474 19/20 0.71
NOS2 P35228 7/20 0.71

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
SCHEMBL1121986 0.84 NOS3 (1.00) NOS1NOS3NOS2
SCHEMBL1122129 0.83 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL1122204 0.81 NOS1 (0.46) NOS1NOS3NOS2
SCHEMBL1122359 0.80 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL1122333 0.79 NOS3 (1.00) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL1122254 0.77 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL1122399 0.77 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL2262987 0.72 NOS1 (0.98) NOS1NOS3NOS2
SCHEMBL1122051 0.72 NOS3 (1.00) NOS1NOS3NOS2
SCHEMBL2936290 0.71 NOS1 (0.75) NOS1NOS3NOS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP claimed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP claimed