SCHEMBL6010815

SCHEMBL6010815

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNA7 P36544 1/20 0.39
F10 P00742 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.37
PTGES O14684 8/20 0.37
PTGS2 P35354 1/20 0.37
HTR6 P50406 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
ADRB1 P08588 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL6010899 0.89 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA1CHRNA7F10
Hydrochloric Acid SCHEMBL6010829 0.88 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA1CHRNA7F10
SCHEMBL6010809 0.86 F10 (0.44) F10IRAK4HTR6
SCHEMBL6010871 0.86 ACACB (0.37) CHRNB2CHRNA4CHRNA1CHRNA7F10
Hydrochloric Acid SCHEMBL6010656 0.85 F10 (0.43) F10IRAK4HTR6
SCHEMBL6010862 0.84 HTR6 (0.40) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010844 0.84 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
Hydrochloric Acid SCHEMBL6010978 0.83 HTR6 (0.39) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010864 0.81 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010788 0.81 HTR6 (0.41) CHRNB2CHRNA4CHRNA1CHRNA7F10

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