SCHEMBL1843614

SCHEMBL1843614

O=C(O)c1cncc(N2CC3CNCC3C2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51

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
SCHEMBL31125777 0.86 CHRNB4 (0.49) CHRNB2CHRNA4
SCHEMBL3538907 0.79 CHRNB4 (0.49) CHRNB2CHRNA4
SCHEMBL3538904 0.79 CHRNB4 (0.49) CHRNB2CHRNA4
SCHEMBL651641 0.78 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL651642 0.78 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL6190440 0.78 CHRNB2 (0.70) CHRNB2CHRNA4
SCHEMBL1135397 0.78 CHRNB4 (0.60) CHRNB2CHRNA4
SCHEMBL1135379 0.78 CHRNB4 (0.55) CHRNB2CHRNA4
SCHEMBL29420013 0.77 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL20187819 0.77 CHRNB2 (0.51) CHRNB2CHRNA4

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-2129672-B1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LAB (US) 2011-05-18 EP claimed