SCHEMBL9244259

SCHEMBL9244259

CN1CCCC1COc1cccc(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.69
CHRNA3 P32297 6/20 0.69
CHRNB2 P17787 2/20 0.67
CHRNA4 P43681 1/20 0.67
CHRNB1 P11230 1/20 0.62
CHRNB3 Q05901 1/20 0.62

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
SCHEMBL3614551 1.00 CHRNB4 (0.69) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL9242770 0.99 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL9242766 0.99 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL11466424 0.90 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL11466251 0.87 HCRTR1 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL3605852 0.84 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL9243572 0.82 CHRNB4 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL9242858 0.82 CHRNB4 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL8439489 0.82 CHRNB2 (0.80) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
Hydrochloric Acid SCHEMBL9243326 0.81 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 US claimed
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 US disclosed