SCHEMBL18092147

SCHEMBL18092147

CN1C(COc2cccnc2F)CC2CC21

nearest known ligand 0.97

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.97
CHRNA4 P43681 10/20 0.97
CHRNA6 Q15825 1/20 0.53
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB1 P11230 1/20 0.42
CHRNB3 Q05901 1/20 0.42

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
Cadaverine Tartrate SCHEMBL1769350 0.91 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA6CHRNB4CHRNA3
SCHEMBL14776660 0.85 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL14776502 0.84 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7478061 0.77 CHRNB4 (0.62) CHRNB2CHRNA4CHRNA6CHRNB4CHRNA3
SCHEMBL1769198 0.75 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL1769326 0.75 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL14776776 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL14776261 0.72 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL1769352 0.70 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA6CHRNB4CHRNA3
SCHEMBL7411211 0.68 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA6CHRNB4CHRNA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513085-B1 BICYCLIC COMPOUNDS AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2016-09-28 EP claimed