SCHEMBL5206913

SCHEMBL5206913

Cc1cc(N2CCCCC2CC(=O)NC(C)c2ccc3c(c2)OCO3)nc(-n2ccnc2)n1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.75

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
SCHEMBL5190474 0.91 NOS2 (0.74) NOS2
SCHEMBL5191786 0.91 NOS2 (0.67) NOS2
SCHEMBL5191436 0.89 NOS2 (0.65) NOS2
SCHEMBL5190646 0.89 NOS2 (0.62) NOS2
SCHEMBL5190465 0.89 NOS2 (0.64) NOS2
SCHEMBL5190625 0.88 NOS2 (0.59) NOS2
SCHEMBL5191143 0.87 NOS2 (0.67) NOS2
SCHEMBL5191316 0.87 NOS2 (0.60) NOS2
SCHEMBL5193873 0.87 NOS2 (0.67) NOS2
SCHEMBL5195117 0.87 NOS2 (0.62) 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 6 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
CN-1100777-C N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2003-02-05 CN claimed
CN-1252799-A N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2000-05-10 CN claimed
EP-0968206-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2006-11-15 EP disclosed
CN-1100777-C N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2003-02-05 CN disclosed
CN-1252799-A N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2000-05-10 CN disclosed