SCHEMBL6835091

SCHEMBL6835091

O=C(NCc1ccc2c(c1)OCO2)C1CN(c2ccnc(-n3ccnc3)n2)CCO1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.62

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
SCHEMBL5193173 0.92 NOS2 (0.69) NOS2
SCHEMBL6835120 0.90 NOS2 (0.69) NOS2
SCHEMBL5192358 0.88 NOS2 (0.63) NOS2
SCHEMBL5192123 0.88 NOS2 (0.69) NOS2
SCHEMBL5190732 0.85 NOS2 (0.58) NOS2
SCHEMBL5193161 0.84 NOS2 (0.49) NOS2
SCHEMBL5194482 0.84 NOS2 (0.59) NOS2
SCHEMBL5193081 0.83 NOS2 (0.61) NOS2
SCHEMBL5193213 0.83 NOS2 (0.59) NOS2
SCHEMBL5191351 0.82 NOS2 (0.71) 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