SCHEMBL17004191

SCHEMBL17004191

Nc1ccc(OC2C3CC4CC2CN(C4)C3)cn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.33
TPO P07202 1/20 0.33
EPX P11678 1/20 0.33
LPO P22079 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA7 P36544 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL17004213 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7
SCHEMBL17004264 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL3829131 0.80 NSD2 (0.31) CHRNA7
SCHEMBL17004251 0.78 MAPT (0.45) CHRNB2CHRNA4
SCHEMBL3825645 0.75 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7
SCHEMBL17004328 0.73 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL17004234 0.71 CHRNA7 (0.42) CHRNB2CHRNA4CHRNA7
SCHEMBL29604064 0.71 KCNH2 (0.47) CHRNB2CHRNA4CHRNA7
SCHEMBL17004276 0.71 KCNH2 (0.47) CHRNB2CHRNA4CHRNA7
SCHEMBL17004329 0.70 LNPEP (0.35)

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-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed