SCHEMBL5189986

SCHEMBL5189986

Cc1cc(N2CCOC(CC(=O)NSC(C)c3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.56
NOS1 P29475 1/20 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
SCHEMBL5190583 0.84 NOS2 (0.76) NOS2NOS1
SCHEMBL5191340 0.81 NOS2 (0.56) NOS2NOS1
SCHEMBL5192064 0.77 NOS2 (0.51) NOS2NOS1
SCHEMBL5195151 0.77 NOS2 (0.58) NOS2NOS1
SCHEMBL27434238 0.76 NOS2 (0.58) NOS2NOS1
SCHEMBL5192123 0.76 NOS2 (0.69) NOS2
SCHEMBL5191379 0.76 NOS2 (0.79) NOS2
SCHEMBL5191436 0.76 NOS2 (0.65) NOS2
SCHEMBL6835120 0.76 NOS2 (0.69) NOS2NOS1
SCHEMBL5206913 0.75 NOS2 (0.75) 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