SCHEMBL5213731

SCHEMBL5213731

CN1CCN(c2nccc(-n3ccnc3)n2)C(CC(=O)NCC2CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 19/20 0.60

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
SCHEMBL5722152 0.84 NOS2 (0.52) NOS2
SCHEMBL5190554 0.78 NOS2 (0.75) NOS2
SCHEMBL5192709 0.76 NOS2 (0.80) NOS2
SCHEMBL5190747 0.75 NOS2 (0.51) NOS2
SCHEMBL5193298 0.72 NOS2 (0.64) NOS2
SCHEMBL5190771 0.71 NOS2 (0.63) NOS2
SCHEMBL5194946 0.70 NOS2 (0.61) NOS2
SCHEMBL5190413 0.70 NOS2 (0.56) NOS2
SCHEMBL5189715 0.70 NOS2 (0.56) NOS2
SCHEMBL5189792 0.70 NOS2 (0.63) 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