SCHEMBL6835097

SCHEMBL6835097

CCC(=O)N1CCN(c2cc(Cl)nc(-n3ccnc3)n2)C(CC(=O)NC(C)c2ccc(OC)c(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.43

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
SCHEMBL5191312 0.94 NOS2 (0.43) NOS2
SCHEMBL5190326 0.94 NOS2 (0.43) NOS2
SCHEMBL5194421 0.93 NOS2 (0.48) NOS2
SCHEMBL5189903 0.92 NOS2 (0.45) NOS2
SCHEMBL5190349 0.91 NOS2 (0.43) NOS2
SCHEMBL5194400 0.90 NOS2 (0.42) NOS2
SCHEMBL5194993 0.89 NOS2 (0.46) NOS2
SCHEMBL5192183 0.89 NOS2 (0.45) NOS2
SCHEMBL5190477 0.89 NOS2 (0.49) NOS2
SCHEMBL5192812 0.89 NOS2 (0.44) 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-6747031-B2 MUSCLE RELAXANTS, CONTROLLING IMMUNOLOGY, STROKES, ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2004-06-08 US disclosed