SCHEMBL6010827

SCHEMBL6010827

COc1cc(Cl)cc2nc(N3CCCNCC3)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.48
CHRNA4 P43681 5/20 0.48
HTR3A P46098 3/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
SUV39H2 Q9H5I1 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNA7 P36544 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
UBE2N P61088 1/20 0.38

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
SCHEMBL4158366 0.84 CHRNB2 (0.42) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL6010820 0.84 HRH4 (0.46) CHRNB2CHRNA4HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6010728 0.83 CHRNB2 (0.41) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL6010864 0.82 CHRNB2 (0.43) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL6010738 0.82 HRH4 (0.45) CHRNB2CHRNA4HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6010921 0.81 HRH4 (0.44) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL6010752 0.79 CHRNB2 (0.40) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL6010856 0.79 PDE10A (0.44) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL6010844 0.79 CHRNB2 (0.38) CHRNB2CHRNA4HTR3AHTR3EHTR3B
Sulfuric Acid SCHEMBL6010918 0.79 HTR6 (0.41) CHRNB2CHRNA4HTR3AHTR3EHTR3B

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