SCHEMBL5190465

SCHEMBL5190465

Cc1cc(N2CCNCC2CC(=O)NC(C)c2ccc3c(c2)OCO3)nc(-n2ccnc2)n1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.64

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
SCHEMBL5206913 0.89 NOS2 (0.75) NOS2
SCHEMBL5191436 0.88 NOS2 (0.65) NOS2
SCHEMBL5191143 0.86 NOS2 (0.67) NOS2
SCHEMBL5195408 0.85 NOS2 (0.67) NOS2
SCHEMBL5195117 0.85 NOS2 (0.62) NOS2
SCHEMBL5190471 0.85 NOS2 (0.72) NOS2
SCHEMBL5194513 0.84 NOS2 (0.58) NOS2
SCHEMBL5191494 0.84 NOS2 (0.62) NOS2
SCHEMBL5193561 0.84 NOS2 (0.60) NOS2
SCHEMBL5194776 0.84 NOS2 (0.60) 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 disclosed