SCHEMBL27435255

SCHEMBL27435255

CN1CCN(c2cc(Cl)nc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCCO3)C1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.76

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
SCHEMBL5191473 0.91 NOS2 (0.77) NOS2
SCHEMBL7237761 0.90 NOS2 (0.73) NOS2
SCHEMBL5189695 0.90 NOS2 (0.78) NOS2
SCHEMBL5194906 0.90 NOS2 (0.78) NOS2
SCHEMBL5193298 0.89 NOS2 (0.64) NOS2
SCHEMBL5192524 0.88 NOS2 (0.77) NOS2
SCHEMBL5194766 0.88 NOS2 (0.80) NOS2
SCHEMBL5190273 0.88 NOS2 (0.67) NOS2
SCHEMBL5192782 0.88 NOS2 (0.67) NOS2
SCHEMBL5189764 0.88 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100777-C N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2003-02-05 CN claimed
CN-1252799-A N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2000-05-10 CN claimed
CN-1100777-C N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2003-02-05 CN disclosed
CN-1252799-A N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2000-05-10 CN disclosed