SCHEMBL5189683

SCHEMBL5189683

COc1ccc(C(C)NC(=O)CC2CN(C(=O)OCc3ccccc3)CCN2c2cc(C)nc(-n3ccnc3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.53

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
SCHEMBL5192870 0.93 NOS2 (0.52) NOS2
SCHEMBL5191064 0.93 NOS2 (0.52) NOS2
SCHEMBL5192619 0.92 NOS2 (0.62) NOS2
SCHEMBL5190687 0.92 NOS2 (0.54) NOS2
SCHEMBL5194648 0.92 NOS2 (0.51) NOS2
SCHEMBL5192702 0.91 NOS2 (0.46) NOS2
SCHEMBL5192627 0.90 NOS2 (0.49) NOS2
SCHEMBL5191219 0.88 NOS2 (0.46) NOS2
SCHEMBL5189689 0.87 NOS2 (0.59) NOS2
SCHEMBL5190477 0.86 NOS2 (0.49) 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