SCHEMBL5193446

SCHEMBL5193446

CC(NC(=O)CC1CN(C(=O)c2cccnc2)CCN1c1cc(Cl)nc(-n2ccnc2)n1)c1ccc2c(c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.55

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
SCHEMBL5192724 0.93 NOS2 (0.55) NOS2
SCHEMBL5193211 0.93 NOS2 (0.55) NOS2
SCHEMBL5193449 0.90 NOS2 (0.60) NOS2
SCHEMBL5193336 0.89 NOS2 (0.44) NOS2
SCHEMBL5193032 0.89 NOS2 (0.68) NOS2
SCHEMBL5192812 0.88 NOS2 (0.44) NOS2
SCHEMBL5190258 0.88 NOS2 (0.52) NOS2
SCHEMBL5193047 0.86 NOS2 (0.65) NOS2
SCHEMBL5192978 0.86 NOS2 (0.54) NOS2
SCHEMBL5193450 0.86 NOS2 (0.61) 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
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-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
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