SCHEMBL5192218

SCHEMBL5192218

COc1ccc(OC(=O)N2CCN(c3cc(C)nc(-n4ccnc4)n3)C(CC(=O)NC(C)c3ccc4c(c3)OCCO4)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.56

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
SCHEMBL5194970 0.92 NOS2 (0.55) NOS2
SCHEMBL5195408 0.90 NOS2 (0.67) NOS2
SCHEMBL5191131 0.89 NOS2 (0.55) NOS2
SCHEMBL5192624 0.89 NOS2 (0.55) NOS2
SCHEMBL5194393 0.89 NOS2 (0.61) NOS2
SCHEMBL5193064 0.89 NOS2 (0.59) NOS2
SCHEMBL5191416 0.89 NOS2 (0.52) NOS2
SCHEMBL5192684 0.89 NOS2 (0.53) NOS2
SCHEMBL5192224 0.87 NOS2 (0.61) NOS2
SCHEMBL5192255 0.86 NOS2 (0.58) 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