SCHEMBL6010899

SCHEMBL6010899

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNA7 P36544 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
F10 P00742 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
PTGES O14684 8/20 0.35
PTGS2 P35354 1/20 0.35
HTR6 P50406 1/20 0.35
HRH4 Q9H3N8 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
Hydrochloric Acid SCHEMBL6010829 0.99 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA1CHRNA7KDM4E
SCHEMBL6010815 0.89 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA1CHRNA7F10
SCHEMBL6010862 0.84 HTR6 (0.40) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010871 0.83 ACACB (0.37) CHRNB2CHRNA4CHRNA1CHRNA7F10
SCHEMBL6010809 0.83 F10 (0.44) KDM4EF10IRAK4HTR6
Hydrochloric Acid SCHEMBL6010978 0.83 HTR6 (0.39) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
Hydrochloric Acid SCHEMBL6010656 0.83 F10 (0.43) KDM4EF10IRAK4HTR6
SCHEMBL6010844 0.81 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010864 0.81 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010788 0.78 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 3 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-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed