SCHEMBL5192686

SCHEMBL5192686

COc1ccc(C(C)NC(=O)CC2CCN(c3cc(C)nc(-n4ccnc4)n3)C2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.45
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5191585 0.91 NOS2 (0.44) NOS2POLB
SCHEMBL5190457 0.90 NOS2 (0.54) NOS2
SCHEMBL5193421 0.89 POLB (0.42) NOS2POLB
SCHEMBL5189984 0.87 L3MBTL1 (0.48) NOS2POLBL3MBTL1
SCHEMBL5190046 0.84 NOS2 (0.62) NOS2
SCHEMBL5192693 0.84 NOS2 (0.62) NOS2
SCHEMBL5189942 0.84 NOS2 (0.62) NOS2
SCHEMBL5192627 0.83 NOS2 (0.49) NOS2
SCHEMBL5194648 0.83 NOS2 (0.51) NOS2
SCHEMBL5192204 0.82 NOS2 (0.44) NOS2POLB

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