SCHEMBL9765075

SCHEMBL9765075

FN1CC2Oc3ccccc3OC2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33

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
SCHEMBL10759336 0.77 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10975272 0.77 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10975275 0.77 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10977324 0.74 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10977318 0.74 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10977321 0.74 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10979584 0.72 KMT2A (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL10979581 0.72 KMT2A (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL19295487 0.72 ABCG2 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4ABCG2
SCHEMBL9963162 0.70 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2

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-0407016-A2 Use of benzodioxinopyrrole derivatives in the manufacture of a medicament for the treatment of anxiety GLAXO GROUP LIMITED (GB) 1991-01-09 EP disclosed
EP-0371793-A3 Use of a benzodioxinopyrrole derivatives for the preparation of a medicament in the treatment of cerebral ischaemia GLAXO GROUP LIMITED (GB) 1990-10-24 EP disclosed
EP-0371793-A2 Use of a benzodioxinopyrrole derivatives for the preparation of a medicament in the treatment of cerebral ischaemia GLAXO GROUP LIMITED (GB) 1990-06-06 EP disclosed