SCHEMBL5190747

SCHEMBL5190747

CN1CCN(c2cc(-n3ccnc3)ncn2)C(CC(=O)NCCC2CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 19/20 0.51

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 0.91 NOS2 (0.52) NOS2
SCHEMBL5190740 0.83 NOS2 (0.46) NOS2
SCHEMBL5213731 0.75 NOS2 (0.60) NOS2
SCHEMBL1728910 0.74 CHRM4 (0.44) NOS2
SCHEMBL5190584 0.72 NOS2 (0.62) NOS2
SCHEMBL5192125 0.72 NOS2 (0.47) NOS2
SCHEMBL5192826 0.71 NOS2 (0.53) NOS2
SCHEMBL6320319 0.71 NOS2 (0.48) NOS2
SCHEMBL5190534 0.71 NOS2 (0.60) NOS2
SCHEMBL5189715 0.70 NOS2 (0.56) 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