SCHEMBL6835120

SCHEMBL6835120

Cc1cc(N2CCOC(C(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.69
NOS1 P29475 2/20 0.59

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
SCHEMBL5191351 0.92 NOS2 (0.71) NOS2NOS1
SCHEMBL6835091 0.90 NOS2 (0.62) NOS2
SCHEMBL5192066 0.89 NOS2 (0.66) NOS2NOS1
SCHEMBL5190583 0.88 NOS2 (0.76) NOS2NOS1
SCHEMBL5192060 0.86 ALDH1A1 (0.73) NOS2NOS1
SCHEMBL5190380 0.86 NOS2 (0.52) NOS2NOS1
SCHEMBL5190289 0.85 NOS2 (0.74) NOS2NOS1
SCHEMBL5191340 0.85 NOS2 (0.56) NOS2NOS1
SCHEMBL5191522 0.83 KMT2A (0.66) NOS2NOS1
SCHEMBL5191345 0.83 NOS2 (0.70) NOS2NOS1

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