SCHEMBL5208224

SCHEMBL5208224

CCC(C)OC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)CC1C(CCc1ccc2c(c1)OCCO2)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.46

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
SCHEMBL5192707 0.84 NOS2 (0.57) NOS2
SCHEMBL7125931 0.78 NOS2 (0.52) NOS2
SCHEMBL5190376 0.78 NOS2 (0.67) NOS2
SCHEMBL5195287 0.75 NOS2 (0.63) NOS2
SCHEMBL5191695 0.75 NOS2 (0.54) NOS2
SCHEMBL5191633 0.74 NOS2 (0.67) NOS2
SCHEMBL5191307 0.74 NOS2 (0.67) NOS2
SCHEMBL5189685 0.73 NOS2 (0.61) NOS2
SCHEMBL5191464 0.72 NOS2 (0.48) NOS2
SCHEMBL5192931 0.72 NOS2 (0.77) 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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed