SCHEMBL5193243

SCHEMBL5193243

COc1ccc(CN2CCN(c3ccnc(-n4ccnc4)n3)C(CC(=O)NC(C)c3ccc4c(c3)OCCO4)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.62

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
SCHEMBL5194160 0.94 NOS2 (0.54) NOS2
SCHEMBL5189934 0.92 NOS2 (0.63) NOS2
SCHEMBL5193015 0.92 NOS2 (0.71) NOS2
SCHEMBL5192726 0.91 NOS2 (0.59) NOS2
SCHEMBL5190378 0.91 NOS2 (0.58) NOS2
SCHEMBL5192255 0.91 NOS2 (0.58) NOS2
SCHEMBL27438537 0.90 NOS2 (0.73) NOS2
SCHEMBL5190121 0.88 NOS2 (0.61) NOS2
SCHEMBL5193249 0.88 NOS2 (0.69) NOS2
SCHEMBL5189745 0.88 NOS2 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP claimed
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP disclosed
EP-0968206-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2006-11-15 EP disclosed