SCHEMBL5194993

SCHEMBL5194993

COc1ccc(C(C)NC(=O)CC2CN(C(=O)CC(C)C)CCN2c2cc(Cl)nc(-n3ccnc3)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 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
SCHEMBL5190326 0.95 NOS2 (0.43) NOS2
SCHEMBL5191910 0.93 NOS2 (0.48) NOS2
SCHEMBL5191168 0.92 NOS2 (0.45) NOS2
SCHEMBL5193012 0.92 NOS2 (0.45) NOS2
SCHEMBL5190389 0.90 NOS2 (0.45) NOS2
SCHEMBL5192239 0.90 NOS2 (0.46) NOS2
SCHEMBL5190381 0.90 NOS2 (0.48) NOS2
SCHEMBL5194400 0.90 NOS2 (0.42) NOS2
SCHEMBL6835097 0.89 NOS2 (0.43) NOS2
SCHEMBL5194687 0.89 NOS2 (0.47) 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