SCHEMBL6836819

SCHEMBL6836819

O=C(CC1CN(c2cc(C(F)(F)F)nc(-n3ccnc3)n2)CCN1C(=O)NC1CCCCC1)NCCc1ccccc1OCc1ccc2c(c1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.53

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
SCHEMBL5190512 0.91 NOS2 (0.59) NOS2
SCHEMBL7057458 0.81 NOS2 (0.49) NOS2
SCHEMBL5212653 0.80 NOS2 (0.62) NOS2
SCHEMBL5192721 0.79 NOS2 (0.57) NOS2
SCHEMBL5195094 0.78 NOS2 (0.66) NOS2
SCHEMBL5192533 0.78 NOS2 (0.57) NOS2
SCHEMBL5193637 0.77 NOS2 (0.62) NOS2
SCHEMBL5192011 0.76 NOS2 (0.70) NOS2
SCHEMBL7061808 0.74 NOS2 (0.49) NOS2
SCHEMBL5193532 0.73 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
US-6747031-B2 MUSCLE RELAXANTS, CONTROLLING IMMUNOLOGY, STROKES, ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2004-06-08 US disclosed