SCHEMBL6010752

SCHEMBL6010752

OCc1cc(Cl)cc2nc(N3CCCNCC3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.40
CHRNA4 P43681 7/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR6 P50406 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36
NCF1 P14598 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
PTGES O14684 2/20 0.35
MAOB P27338 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
SCHEMBL6010864 0.89 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010820 0.84 HRH4 (0.46) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL4158366 0.82 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010738 0.82 HRH4 (0.45) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
Hydrochloric Acid SCHEMBL6010728 0.81 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
Hydrochloric Acid SCHEMBL6010921 0.81 HRH4 (0.44) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010827 0.79 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
Sulfuric Acid SCHEMBL6010918 0.79 HTR6 (0.41) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010844 0.79 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010815 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA1CHRNA7HTR6

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