SCHEMBL6010826

SCHEMBL6010826

Cc1c(Cl)cc2nc(N3CCCNCC3)oc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
CHRNB2 P17787 7/20 0.39
CHRNA4 P43681 7/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR6 P50406 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
SOS1 Q07889 1/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
CHRM4 P08173 2/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL6010877 0.91 NCF1 (0.40) NCF1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL4158366 0.81 CHRNB2 (0.42) NCF1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010820 0.81 HRH4 (0.46) NCF1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6489658 0.81 HRH4 (0.47) HRH4
Hydrochloric Acid SCHEMBL6010728 0.81 CHRNB2 (0.41) NCF1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010830 0.79 PTGES (0.50) NCF1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010864 0.77 CHRNB2 (0.43) NCF1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010738 0.77 HRH4 (0.45) CHRNB2CHRNA4CHRNA1CHRNA7HTR6
SCHEMBL6010827 0.76 CHRNB2 (0.48) NCF1CHRNB2CHRNA4CHRNA1CHRNA7
Sulfuric Acid SCHEMBL6010918 0.76 HTR6 (0.41) NCF1CHRNB2CHRNA4CHRNA1CHRNA7

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