SCHEMBL7617102

SCHEMBL7617102

CCCNC(=O)N1CCN(c2ccnc(Cn3ccnc3)n2)C(CC(=O)NCCc2ccc(OC)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.56

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
SCHEMBL6295184 0.92 NOS2 (0.58) NOS2
SCHEMBL6300832 0.90 NOS2 (0.51) NOS2
SCHEMBL7617099 0.88 NOS2 (0.42) NOS2
SCHEMBL5189800 0.88 NOS2 (0.73) NOS2
SCHEMBL7056692 0.83 NOS2 (0.53) NOS2
SCHEMBL6296140 0.82 NOS2 (0.61) NOS2
SCHEMBL5191310 0.81 NOS2 (0.60) NOS2
SCHEMBL5192668 0.81 NOS2 (0.71) NOS2
SCHEMBL6296523 0.81 NOS2 (0.58) NOS2
SCHEMBL5190340 0.81 NOS2 (0.59) 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-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 US claimed