SCHEMBL5192525

SCHEMBL5192525

COCC(=O)N1CCN(c2cc(Cl)nc(-n3ccnc3)n2)C(CC(=O)NC(C)c2ccc3c(c2)OCO3)C1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.57

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
SCHEMBL5194343 0.94 NOS2 (0.59) NOS2
SCHEMBL5193083 0.93 NOS2 (0.57) NOS2
SCHEMBL5189960 0.93 NOS2 (0.66) NOS2
SCHEMBL5189888 0.92 NOS2 (0.57) NOS2
SCHEMBL5192380 0.92 NOS2 (0.56) NOS2
SCHEMBL5192140 0.92 NOS2 (0.66) NOS2
SCHEMBL5193047 0.91 NOS2 (0.65) NOS2
SCHEMBL5193661 0.91 NOS2 (0.58) NOS2
SCHEMBL5192684 0.90 NOS2 (0.53) NOS2
SCHEMBL5190258 0.89 NOS2 (0.52) 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