SCHEMBL5553392

SCHEMBL5553392

C1=C(Oc2ccc(-n3ccnc3)cc2)CCN1Cc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.57
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL7067249 0.75 NOS2 (0.57) NOS2MAOAMAOB
SCHEMBL5203317 0.74 NOS2 (0.90) NOS2
SCHEMBL5203057 0.74 NOS2 (0.90) NOS2
SCHEMBL5203041 0.74 NOS2 (0.90) NOS2
SCHEMBL6942377 0.73 NOS2 (1.00) NOS2MAOAMAOB
SCHEMBL6939204 0.73 NOS2 (0.80) NOS2MAOAMAOB
SCHEMBL5201831 0.73 NOS2 (1.00) NOS2
SCHEMBL5201896 0.73 NOS2 (1.00) NOS2
SCHEMBL5202294 0.73 NOS2 (1.00) NOS2
SCHEMBL5201861 0.73 NOS2 (1.00) NOS2

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-1795192-A2 1-Substituted imidazole derivatives as nos inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-13 EP disclosed