SCHEMBL5190724

SCHEMBL5190724

CCCNC(=O)N1CCN(c2cc(C)nc(-n3ccnc3)n2)C(CC(=O)NC(C)c2ccc(OC)c(OC)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.47

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
SCHEMBL5192566 0.94 NOS2 (0.43) NOS2
SCHEMBL5194687 0.93 NOS2 (0.47) NOS2
SCHEMBL5191305 0.92 NOS2 (0.46) NOS2
SCHEMBL5194648 0.91 NOS2 (0.51) NOS2
SCHEMBL5192627 0.91 NOS2 (0.49) NOS2
SCHEMBL5193036 0.90 NOS2 (0.47) NOS2
SCHEMBL5191219 0.89 NOS2 (0.46) NOS2
SCHEMBL5192449 0.89 NOS2 (0.48) NOS2
SCHEMBL5190349 0.89 NOS2 (0.43) NOS2
SCHEMBL5193100 0.88 NOS2 (0.54) 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