SCHEMBL6010871

SCHEMBL6010871

CC(C)(C)OC(=O)Nc1cc(Cl)cc2nc(N3CCCNCC3)oc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CHRNA1 P02708 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR6 P50406 3/20 0.35
PTGES O14684 8/20 0.35
F10 P00742 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
PTGS2 P35354 1/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL6010815 0.86 CHRNB2 (0.39) CHRNA1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL6010899 0.83 CHRNB2 (0.37) CHRNA1CHRNB2CHRNA7CHRNA4HTR6
Hydrochloric Acid SCHEMBL6010829 0.83 CHRNB2 (0.37) CHRNA1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL6010809 0.81 F10 (0.44) HTR6F10IRAK4
Hydrochloric Acid SCHEMBL6010656 0.80 F10 (0.43) HTR6F10IRAK4
SCHEMBL6010862 0.79 HTR6 (0.40) CHRNA1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL6010844 0.79 CHRNB2 (0.38) CHRNA1CHRNB2CHRNA7CHRNA4HTR6
Hydrochloric Acid SCHEMBL6010978 0.79 HTR6 (0.39) CHRNA1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL6010864 0.76 CHRNB2 (0.43) CHRNA1CHRNB2CHRNA7CHRNA4HTR6
SCHEMBL6010788 0.76 HTR6 (0.41) CHRNA1CHRNB2CHRNA7CHRNA4HTR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP claimed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed