SCHEMBL6323726

SCHEMBL6323726

O=C(CC1CN(C(=O)OCc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1cccc2c1OCCO2

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.75

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
SCHEMBL5192176 0.89 NOS2 (0.93) NOS2
SCHEMBL5191362 0.86 NOS2 (1.00) NOS2
SCHEMBL6835443 0.83 NOS2 (0.73) NOS2
SCHEMBL6325631 0.83 NOS2 (0.62) NOS2
SCHEMBL5194425 0.83 NOS2 (0.77) NOS2
SCHEMBL5193583 0.82 NOS2 (0.88) NOS2
SCHEMBL5194100 0.81 NOS2 (0.79) NOS2
SCHEMBL5193922 0.81 NOS2 (0.79) NOS2
SCHEMBL5193576 0.79 NOS2 (0.78) NOS2
SCHEMBL5191656 0.79 NOS2 (0.76) 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
US-6864263-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-03-08 US disclosed