SCHEMBL5193012

SCHEMBL5193012

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

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.45

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
SCHEMBL5189903 0.95 NOS2 (0.45) NOS2
SCHEMBL5195091 0.92 NOS2 (0.44) NOS2
SCHEMBL5194993 0.92 NOS2 (0.46) NOS2
SCHEMBL5191910 0.91 NOS2 (0.48) NOS2
SCHEMBL5191251 0.90 NOS2 (0.46) NOS2
SCHEMBL6306057 0.90 NOS2 (0.49) NOS2
SCHEMBL5191312 0.90 NOS2 (0.43) NOS2
SCHEMBL5194343 0.89 NOS2 (0.59) NOS2
SCHEMBL5190381 0.88 NOS2 (0.48) NOS2
SCHEMBL6835097 0.88 NOS2 (0.43) 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