SCHEMBL255348

SCHEMBL255348

O=C(NCc1ccc(C2CCOCC2)cc1)c1cnc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.52
MAPK1 P28482 4/20 0.50
COPS5 Q92905 6/20 0.49
PSMD14 O00487 6/20 0.49
STAMBP O95630 6/20 0.49

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
SCHEMBL617662 0.82 HTT (0.46) NAMPTMAPK1
SCHEMBL253124 0.78 STAMBP (0.44) NAMPTMAPK1COPS5PSMD14STAMBP
SCHEMBL252709 0.76 STAMBP (0.55) NAMPTMAPK1COPS5PSMD14STAMBP
SCHEMBL253871 0.73 HPGDS (0.60) NAMPTCOPS5PSMD14STAMBP
SCHEMBL619249 0.73 HTT (0.48)
SCHEMBL250787 0.72 HTT (0.47) MAPK1
SCHEMBL252287 0.71 STAMBP (0.51) NAMPTCOPS5PSMD14STAMBP
SCHEMBL619626 0.71 MAPK1 (0.45) MAPK1
SCHEMBL253706 0.71 MLYCD (0.58) NAMPTCOPS5PSMD14STAMBP
SCHEMBL255347 0.71 SYK (0.38) MAPK1

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
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed