SCHEMBL5194487

SCHEMBL5194487

O=C(CCC1N=CC=CN1c1ccnc(-n2ccnc2)n1)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.61

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
SCHEMBL5194462 0.84 NOS2 (0.47) NOS2
SCHEMBL5193158 0.83 NOS2 (0.76) NOS2
SCHEMBL5192629 0.80 NOS2 (0.64) NOS2
SCHEMBL5194473 0.77 NOS2 (0.60) NOS2
SCHEMBL5190488 0.77 NOS2 (0.86) NOS2
SCHEMBL5192196 0.77 NOS2 (0.62) NOS2
SCHEMBL5195060 0.77 NOS2 (0.65) NOS2
SCHEMBL5191803 0.76 NOS2 (0.76) NOS2
SCHEMBL5192700 0.76 NOS2 (1.00) NOS2
SCHEMBL5192321 0.76 NOS2 (0.67) 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 1 patent. 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