SCHEMBL6010862

SCHEMBL6010862

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNA7 P36544 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
EGFR P00533 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
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
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 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
Hydrochloric Acid SCHEMBL6010978 0.99 HTR6 (0.39) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010788 0.84 HTR6 (0.41) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010815 0.84 CHRNB2 (0.39) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010899 0.84 CHRNB2 (0.37) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010844 0.83 CHRNB2 (0.38) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
Hydrochloric Acid SCHEMBL6010829 0.83 CHRNB2 (0.37) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
Sulfuric Acid SCHEMBL6010918 0.81 HTR6 (0.41) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010864 0.80 CHRNB2 (0.43) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL4158366 0.80 CHRNB2 (0.42) HTR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6010820 0.80 HRH4 (0.46) HTR6CHRNB2CHRNA4CHRNA1CHRNA7

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