SCHEMBL5193100

SCHEMBL5193100

CCCNC(=O)N1CCN(c2cc(C)nc(-n3ccnc3)n2)C(CC(=O)NC(C)c2ccc3c(c2)OCCO3)C1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.54

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
SCHEMBL5190555 0.97 NOS2 (0.58) NOS2
SCHEMBL5192978 0.93 NOS2 (0.54) NOS2
SCHEMBL5190043 0.93 NOS2 (0.61) NOS2
SCHEMBL5194393 0.91 NOS2 (0.61) NOS2
SCHEMBL5190036 0.90 NOS2 (0.58) NOS2
SCHEMBL5190525 0.89 NOS2 (0.67) NOS2
SCHEMBL5189910 0.89 NOS2 (0.54) NOS2
SCHEMBL5190724 0.88 NOS2 (0.47) NOS2
SCHEMBL5191305 0.88 NOS2 (0.46) NOS2
SCHEMBL5194263 0.88 NOS2 (0.68) 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